Organoheterocyclic compounds

Organic compounds that consist of ring structures, or cyclic compounds that have atoms of at least two different elements as members of its ring(s).

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2,056 – 2,070 of 270,877 results

2,056

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3-Ethylpyridine, 98%

CAS: 536-78-7 Molecular Formula: C7H9N Molecular Weight (g/mol): 107.156 MDL Number: MFCD00006413 InChI Key: MFEIKQPHQINPRI-UHFFFAOYSA-N Synonym: pyridine, 3-ethyl,3-ethyl pyridine,beta-lutidine,beta-ethylpyridine,3-ethyl-pyridine,5-ethylpyridine,unii-a25i3ez88v,lutidine, beta,3ethylpyridine,fema no. 3394 PubChem CID: 10823 IUPAC Name: 3-ethylpyridine SMILES: CCC1=CN=CC=C1

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PubChem CID	10823
CAS	536-78-7
Molecular Weight (g/mol)	107.156
MDL Number	MFCD00006413
SMILES	CCC1=CN=CC=C1
Synonym	pyridine, 3-ethyl,3-ethyl pyridine,beta-lutidine,beta-ethylpyridine,3-ethyl-pyridine,5-ethylpyridine,unii-a25i3ez88v,lutidine, beta,3ethylpyridine,fema no. 3394
IUPAC Name	3-ethylpyridine
InChI Key	MFEIKQPHQINPRI-UHFFFAOYSA-N
Molecular Formula	C7H9N

2,057

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3-Methylbenzo[b]furan-2-carboxylic acid, 97%

CAS: 24673-56-1 Molecular Formula: C10H8O3 Molecular Weight (g/mol): 176.171 MDL Number: MFCD00060511 InChI Key: YMZTUCZCQMQFMK-UHFFFAOYSA-N Synonym: 3-methylbenzofuran-2-carboxylic acid,2-benzofurancarboxylic acid, 3-methyl,3-methyl-2-benzofurancarboxylic acid,3-methyl-benzofuran-2-carboxylic acid,3-methylbenzo b furan-2-carboxylic acid,cambridge id 5100668,acmc-1cp97,3-methylbenzofuran-2-carboxylicacid,3-methylbenzofuran 2 carboxylic acid,2-benzofurancarboxylicacid, 3-methyl PubChem CID: 600591 IUPAC Name: 3-methyl-1-benzofuran-2-carboxylic acid SMILES: CC1=C(OC2=CC=CC=C12)C(=O)O

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PubChem CID	600591
CAS	24673-56-1
Molecular Weight (g/mol)	176.171
MDL Number	MFCD00060511
SMILES	CC1=C(OC2=CC=CC=C12)C(=O)O
Synonym	3-methylbenzofuran-2-carboxylic acid,2-benzofurancarboxylic acid, 3-methyl,3-methyl-2-benzofurancarboxylic acid,3-methyl-benzofuran-2-carboxylic acid,3-methylbenzo b furan-2-carboxylic acid,cambridge id 5100668,acmc-1cp97,3-methylbenzofuran-2-carboxylicacid,3-methylbenzofuran 2 carboxylic acid,2-benzofurancarboxylicacid, 3-methyl
IUPAC Name	3-methyl-1-benzofuran-2-carboxylic acid
InChI Key	YMZTUCZCQMQFMK-UHFFFAOYSA-N
Molecular Formula	C10H8O3

2,058

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Thermo Scientific Chemicals 2',3'-O-Isopropylideneadenosine, 98%

CAS: 362-75-4 Molecular Formula: C13H17N5O4 Molecular Weight (g/mol): 307.31 MDL Number: MFCD00005756 InChI Key: LCCLUOXEZAHUNS-AUWRGFAENA-N Synonym: 2',3'-o-isopropylideneadenosine,3ar,4r,6r,6ar-6-6-amino-9h-purin-9-yl-2,2-dimethyltetrahydrofuro 3,4-d 1,3 dioxol-4-yl methanol,2',3'-isopropylideneadenosine,3ar,4r,6r,6ar-6-6-amino-9h-purin-9-yl-2,2-dimethyl-tetrahydro-2h-furo 3,4-d 1,3 dioxol-4-yl methanol,2 ,3-o-isopropylideneadenosine,1r,2r,4r,5r-4-6-aminopurin-9-yl-7,7-dimethyl-3,6,8-trioxabicyclo 3.3.0 oc t-2-yl methan-1-ol,3ar,4r,6r,6ar-4-6-aminopurin-9-yl-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro 3,4-d 1,3 dioxol-6-yl methanol,3ar,4r,6r,6ar-6-6-aminopurin-9-yl-2,2-dimethyl-tetrahydrofuro 3,4-d 1,3 dioxol-4-yl methanol,pubchem14185 PubChem CID: 2723654 IUPAC Name: [(3aR,4R,6R,6aR)-4-(6-aminopurin-9-yl)-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]methanol SMILES: CC1(C)O[C@@H]2[C@@H](CO)O[C@H]([C@@H]2O1)N1C=NC2=C(N)N=CN=C12

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PubChem CID	2723654
CAS	362-75-4
Molecular Weight (g/mol)	307.31
MDL Number	MFCD00005756
SMILES	CC1(C)O[C@@H]2[C@@H](CO)O[C@H]([C@@H]2O1)N1C=NC2=C(N)N=CN=C12
Synonym	2',3'-o-isopropylideneadenosine,3ar,4r,6r,6ar-6-6-amino-9h-purin-9-yl-2,2-dimethyltetrahydrofuro 3,4-d 1,3 dioxol-4-yl methanol,2',3'-isopropylideneadenosine,3ar,4r,6r,6ar-6-6-amino-9h-purin-9-yl-2,2-dimethyl-tetrahydro-2h-furo 3,4-d 1,3 dioxol-4-yl methanol,2 ,3-o-isopropylideneadenosine,1r,2r,4r,5r-4-6-aminopurin-9-yl-7,7-dimethyl-3,6,8-trioxabicyclo 3.3.0 oc t-2-yl methan-1-ol,3ar,4r,6r,6ar-4-6-aminopurin-9-yl-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro 3,4-d 1,3 dioxol-6-yl methanol,3ar,4r,6r,6ar-6-6-aminopurin-9-yl-2,2-dimethyl-tetrahydrofuro 3,4-d 1,3 dioxol-4-yl methanol,pubchem14185
IUPAC Name	[(3aR,4R,6R,6aR)-4-(6-aminopurin-9-yl)-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]methanol
InChI Key	LCCLUOXEZAHUNS-AUWRGFAENA-N
Molecular Formula	C13H17N5O4

2,059

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2-Methylbenzofuran, 96%

CAS: 4265-25-2 Molecular Formula: C9H8O Molecular Weight (g/mol): 132.16 MDL Number: MFCD00005850 InChI Key: GBGPVUAOTCNZPT-UHFFFAOYSA-N Synonym: 2-methylbenzofuran,benzofuran, 2-methyl,2-methylcumarone,2-methylbenzo b furan,2-methyl benzofuran,unii-8x3183bz3x,methylbenzofuran,methyl benzoxole,2-methyl-benzofuran,# PubChem CID: 20263 IUPAC Name: 2-methyl-1-benzofuran SMILES: CC1=CC2=CC=CC=C2O1

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PubChem CID	20263
CAS	4265-25-2
Molecular Weight (g/mol)	132.16
MDL Number	MFCD00005850
SMILES	CC1=CC2=CC=CC=C2O1
Synonym	2-methylbenzofuran,benzofuran, 2-methyl,2-methylcumarone,2-methylbenzo b furan,2-methyl benzofuran,unii-8x3183bz3x,methylbenzofuran,methyl benzoxole,2-methyl-benzofuran,#
IUPAC Name	2-methyl-1-benzofuran
InChI Key	GBGPVUAOTCNZPT-UHFFFAOYSA-N
Molecular Formula	C9H8O

2,060

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2-Amino-6-chloropurine, 99+%, Thermo Scientific Chemicals

CAS: 10310-21-1 Molecular Formula: C5H4ClN5 Molecular Weight (g/mol): 169.57 MDL Number: MFCD00075252 InChI Key: RYYIULNRIVUMTQ-UHFFFAOYSA-N Synonym: 2-amino-6-chloropurine,6-chloroguanine,6-chloro-9h-purin-2-amine,6-chloro-2-aminopurine,2-amino-6-chlorpurine,1h-purin-2-amine, 6-chloro,purine, 2-amino-6-chloro,6-chloro-7h-purin-2-ylamine,2-amino-6-chloro-purin,2-amino-6-chloro-purine PubChem CID: 5360349 ChEBI: CHEBI:72345 IUPAC Name: 6-chloro-7H-purin-2-amine SMILES: NC1=NC(Cl)=C2NC=NC2=N1

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PubChem CID	5360349
CAS	10310-21-1
Molecular Weight (g/mol)	169.57
ChEBI	CHEBI:72345
MDL Number	MFCD00075252
SMILES	NC1=NC(Cl)=C2NC=NC2=N1
Synonym	2-amino-6-chloropurine,6-chloroguanine,6-chloro-9h-purin-2-amine,6-chloro-2-aminopurine,2-amino-6-chlorpurine,1h-purin-2-amine, 6-chloro,purine, 2-amino-6-chloro,6-chloro-7h-purin-2-ylamine,2-amino-6-chloro-purin,2-amino-6-chloro-purine
IUPAC Name	6-chloro-7H-purin-2-amine
InChI Key	RYYIULNRIVUMTQ-UHFFFAOYSA-N
Molecular Formula	C5H4ClN5

2,061

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1-Acetylimidazole, 98%, Thermo Scientific Chemicals

CAS: 2466-76-4 Molecular Formula: C5H6N2O Molecular Weight (g/mol): 110.12 MDL Number: MFCD00005287 InChI Key: VIHYIVKEECZGOU-UHFFFAOYSA-N Synonym: 1-acetylimidazole,n-acetylimidazole,1-1h-imidazol-1-yl ethanone,1h-imidazole, 1-acetyl,acetylimidazole,1-acetyl-1h-imidazole,imidazole, 1-acetyl,3-acetylimidazole,unii-zmp8x1y11g,ccris 6534 PubChem CID: 17174 ChEBI: CHEBI:16984 IUPAC Name: 1-imidazol-1-ylethanone SMILES: CC(=O)N1C=CN=C1

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PubChem CID	17174
CAS	2466-76-4
Molecular Weight (g/mol)	110.12
ChEBI	CHEBI:16984
MDL Number	MFCD00005287
SMILES	CC(=O)N1C=CN=C1
Synonym	1-acetylimidazole,n-acetylimidazole,1-1h-imidazol-1-yl ethanone,1h-imidazole, 1-acetyl,acetylimidazole,1-acetyl-1h-imidazole,imidazole, 1-acetyl,3-acetylimidazole,unii-zmp8x1y11g,ccris 6534
IUPAC Name	1-imidazol-1-ylethanone
InChI Key	VIHYIVKEECZGOU-UHFFFAOYSA-N
Molecular Formula	C5H6N2O

2,062

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2-Mercaptopyrimidine, 98%

CAS: 1450-85-7 Molecular Formula: C4H4N2S Molecular Weight (g/mol): 112.15 MDL Number: MFCD00006073 InChI Key: HBCQSNAFLVXVAY-UHFFFAOYSA-N Synonym: 2-mercaptopyrimidine,pyrimidine-2-thiol,2-pyrimidinethiol,2-thiopyrimidine,pyrimidine-2 1h-thione,2 1h-pyrimidinethione,pyrimidinethione,2-pyrimidinethione,2-pyrimidinethiol 9ci,2-1h-pyrimidinthione PubChem CID: 1550489 ChEBI: CHEBI:53576 IUPAC Name: 1H-pyrimidine-2-thione SMILES: C1=CNC(=S)N=C1

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PubChem CID	1550489
CAS	1450-85-7
Molecular Weight (g/mol)	112.15
ChEBI	CHEBI:53576
MDL Number	MFCD00006073
SMILES	C1=CNC(=S)N=C1
Synonym	2-mercaptopyrimidine,pyrimidine-2-thiol,2-pyrimidinethiol,2-thiopyrimidine,pyrimidine-2 1h-thione,2 1h-pyrimidinethione,pyrimidinethione,2-pyrimidinethione,2-pyrimidinethiol 9ci,2-1h-pyrimidinthione
IUPAC Name	1H-pyrimidine-2-thione
InChI Key	HBCQSNAFLVXVAY-UHFFFAOYSA-N
Molecular Formula	C4H4N2S

2,063

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5-Amino-1,3-dimethyl-1H-pyrazole, 98%

CAS: 3524-32-1 Molecular Formula: C5H9N3 Molecular Weight (g/mol): 111.148 MDL Number: MFCD00051651 InChI Key: ZFDGMMZLXSFNFU-UHFFFAOYSA-N Synonym: 5-amino-1,3-dimethylpyrazole,1,3-dimethyl-1h-pyrazol-5-amine,1,3-dimethyl-1h-pyrazole-5yl-amine,1h-pyrazol-5-amine, 1,3-dimethyl,3-amino-2,5-dimethyl-2h-pyrazole,2,5-dimethyl-2h-pyrazol-3-ylamine,5-amino-1,3-dimethyl pyrazole,1,3-dimethyl-1h-pyrazole-5-amine,5-amino-1,3-dimethyl-1h-pyrazole,1,3-dimethyl-5-aminopyrazole PubChem CID: 520721 IUPAC Name: 2,5-dimethylpyrazol-3-amine SMILES: CC1=NN(C(=C1)N)C

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PubChem CID	520721
CAS	3524-32-1
Molecular Weight (g/mol)	111.148
MDL Number	MFCD00051651
SMILES	CC1=NN(C(=C1)N)C
Synonym	5-amino-1,3-dimethylpyrazole,1,3-dimethyl-1h-pyrazol-5-amine,1,3-dimethyl-1h-pyrazole-5yl-amine,1h-pyrazol-5-amine, 1,3-dimethyl,3-amino-2,5-dimethyl-2h-pyrazole,2,5-dimethyl-2h-pyrazol-3-ylamine,5-amino-1,3-dimethyl pyrazole,1,3-dimethyl-1h-pyrazole-5-amine,5-amino-1,3-dimethyl-1h-pyrazole,1,3-dimethyl-5-aminopyrazole
IUPAC Name	2,5-dimethylpyrazol-3-amine
InChI Key	ZFDGMMZLXSFNFU-UHFFFAOYSA-N
Molecular Formula	C5H9N3

2,064

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N-Carbamoylmaleimide, tech. 90%

CAS: 3345-50-4 Molecular Formula: C5H4N2O3 Molecular Weight (g/mol): 140.098 MDL Number: MFCD00014539 InChI Key: BNPFHEFZJPVCCE-UHFFFAOYSA-N Synonym: n-carbamoylmaleimide,n-carbamylmaleimide,2,5-dioxo-3-pyrroline-1-carboxamide,2,5-dioxo-2,5-dihydro-1h-pyrrole-1-carboxamide,n-carbamoylmaleiimide,3-pyrrolinecarboxamide, 2,5-dioxo,3-pyrroline-2,5-dione, 1-carbamoyl,1h-pyrrole-1-carboxamide, 2,5-dihydro-2,5-dioxo-9ci,2,5-dihydro-2,5-dioxo-1h-pyrrole-1-carboxamide,2,5-dioxoazolinecarboxamide PubChem CID: 76868 IUPAC Name: 2,5-dioxopyrrole-1-carboxamide SMILES: C1=CC(=O)N(C1=O)C(=O)N

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PubChem CID	76868
CAS	3345-50-4
Molecular Weight (g/mol)	140.098
MDL Number	MFCD00014539
SMILES	C1=CC(=O)N(C1=O)C(=O)N
Synonym	n-carbamoylmaleimide,n-carbamylmaleimide,2,5-dioxo-3-pyrroline-1-carboxamide,2,5-dioxo-2,5-dihydro-1h-pyrrole-1-carboxamide,n-carbamoylmaleiimide,3-pyrrolinecarboxamide, 2,5-dioxo,3-pyrroline-2,5-dione, 1-carbamoyl,1h-pyrrole-1-carboxamide, 2,5-dihydro-2,5-dioxo-9ci,2,5-dihydro-2,5-dioxo-1h-pyrrole-1-carboxamide,2,5-dioxoazolinecarboxamide
IUPAC Name	2,5-dioxopyrrole-1-carboxamide
InChI Key	BNPFHEFZJPVCCE-UHFFFAOYSA-N
Molecular Formula	C5H4N2O3

2,065

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4-(3-Phenylpropyl)pyridine, 98%

CAS: 2057-49-0 Molecular Formula: C14H15N Molecular Weight (g/mol): 197.281 MDL Number: MFCD00047458 InChI Key: AQIIVEISJBBUCR-UHFFFAOYSA-N Synonym: 4-3-phenylpropyl pyridine,pyridine, 4-3-phenylpropyl,1-phenyl-3-4-pyridyl propane,unii-yw9q68ek6b,4-phenylpropylpyridine,yw9q68ek6b,1-4-pyridyl-3-phenylpropane,acmc-1ccts,dsstox_cid_24869,dsstox_rid_80544 PubChem CID: 74937 IUPAC Name: 4-(3-phenylpropyl)pyridine SMILES: C1=CC=C(C=C1)CCCC2=CC=NC=C2

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PubChem CID	74937
CAS	2057-49-0
Molecular Weight (g/mol)	197.281
MDL Number	MFCD00047458
SMILES	C1=CC=C(C=C1)CCCC2=CC=NC=C2
Synonym	4-3-phenylpropyl pyridine,pyridine, 4-3-phenylpropyl,1-phenyl-3-4-pyridyl propane,unii-yw9q68ek6b,4-phenylpropylpyridine,yw9q68ek6b,1-4-pyridyl-3-phenylpropane,acmc-1ccts,dsstox_cid_24869,dsstox_rid_80544
IUPAC Name	4-(3-phenylpropyl)pyridine
InChI Key	AQIIVEISJBBUCR-UHFFFAOYSA-N
Molecular Formula	C14H15N

2,066

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5-Nitro-2-furaldehyde diacetate, 98%

CAS: 92-55-7 Molecular Formula: C₉H₉NO₇ Molecular Weight (g/mol): 243.17 MDL Number: MFCD00003244 InChI Key: HSXKWKJCZNRMJO-UHFFFAOYSA-N Synonym: 5-nitro-2-furaldehyde diacetate,2-diacetoxymethyl-5-nitrofuran,5-nitro-2-furanmethanediol diacetate,5-nitrofurfural diacetate,5-nitrofurfurylidene diacetate,5-nitrofuran-2-yl methylene diacetate,nitrofuraldehyde diacetate,5-nitro-2-furfural diacetate,5-nitrofuraldehyde diacetate,5-nitro-2-furfuraldehyde diacetate PubChem CID: 7097 IUPAC Name: [acetyloxy-(5-nitrofuran-2-yl)methyl] acetate SMILES: CC(=O)OC(C1=CC=C(O1)[N+](=O)[O-])OC(=O)C

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PubChem CID	7097
CAS	92-55-7
Molecular Weight (g/mol)	243.17
MDL Number	MFCD00003244
SMILES	CC(=O)OC(C1=CC=C(O1)[N+](=O)[O-])OC(=O)C
Synonym	5-nitro-2-furaldehyde diacetate,2-diacetoxymethyl-5-nitrofuran,5-nitro-2-furanmethanediol diacetate,5-nitrofurfural diacetate,5-nitrofurfurylidene diacetate,5-nitrofuran-2-yl methylene diacetate,nitrofuraldehyde diacetate,5-nitro-2-furfural diacetate,5-nitrofuraldehyde diacetate,5-nitro-2-furfuraldehyde diacetate
IUPAC Name	[acetyloxy-(5-nitrofuran-2-yl)methyl] acetate
InChI Key	HSXKWKJCZNRMJO-UHFFFAOYSA-N
Molecular Formula	C₉H₉NO₇

2,067

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4,5-Dicyanoimidazole, 98+%

CAS: 1122-28-7 Molecular Formula: C5H2N4 Molecular Weight (g/mol): 118.10 MDL Number: MFCD00005194 InChI Key: XGDRLCRGKUCBQL-UHFFFAOYSA-N PubChem CID: 70729 IUPAC Name: 1H-imidazole-4,5-dicarbonitrile SMILES: N#CC1=C(N=CN1)C#N

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PubChem CID	70729
CAS	1122-28-7
Molecular Weight (g/mol)	118.10
MDL Number	MFCD00005194
SMILES	N#CC1=C(N=CN1)C#N
IUPAC Name	1H-imidazole-4,5-dicarbonitrile
InChI Key	XGDRLCRGKUCBQL-UHFFFAOYSA-N
Molecular Formula	C5H2N4

2,068

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1-Boc-indole-2-boronic acid, 95%

CAS: 213318-44-6 Molecular Formula: C13H16BNO4 Molecular Weight (g/mol): 261.084 MDL Number: MFCD02093045 InChI Key: SVIBPSNFXYUOFT-UHFFFAOYSA-N Synonym: n-boc-indole-2-boronic acid,1-boc-indole-2-boronic acid,1-tert-butoxycarbonyl indole-2-boronic acid,1-tert-butoxycarbonyl-1h-indol-2-ylboronic acid,1-tert-butoxycarbonyl-1h-indol-2-yl boronic acid,1-n-boc-indole-2-boronic acid,1-tert-butoxycarbonyl-1h-indol-2-yl-2-boronic acid,1-tert-butoxycarbonyl indol-2-ylboronic acid,1-boc-2-indoleboronic acid,n-boc-indol-2-yl boronic acid PubChem CID: 2773302 IUPAC Name: [1-[(2-methylpropan-2-yl)oxycarbonyl]indol-2-yl]boronic acid SMILES: B(C1=CC2=CC=CC=C2N1C(=O)OC(C)(C)C)(O)O

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PubChem CID	2773302
CAS	213318-44-6
Molecular Weight (g/mol)	261.084
MDL Number	MFCD02093045
SMILES	B(C1=CC2=CC=CC=C2N1C(=O)OC(C)(C)C)(O)O
Synonym	n-boc-indole-2-boronic acid,1-boc-indole-2-boronic acid,1-tert-butoxycarbonyl indole-2-boronic acid,1-tert-butoxycarbonyl-1h-indol-2-ylboronic acid,1-tert-butoxycarbonyl-1h-indol-2-yl boronic acid,1-n-boc-indole-2-boronic acid,1-tert-butoxycarbonyl-1h-indol-2-yl-2-boronic acid,1-tert-butoxycarbonyl indol-2-ylboronic acid,1-boc-2-indoleboronic acid,n-boc-indol-2-yl boronic acid
IUPAC Name	[1-[(2-methylpropan-2-yl)oxycarbonyl]indol-2-yl]boronic acid
InChI Key	SVIBPSNFXYUOFT-UHFFFAOYSA-N
Molecular Formula	C13H16BNO4

2,069

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Methyl indole-4-carboxylate, 99%

CAS: 39830-66-5 Molecular Formula: C10H9NO2 Molecular Weight (g/mol): 175.187 MDL Number: MFCD00191222 InChI Key: WEAXQUBYRSEBJD-UHFFFAOYSA-N Synonym: methyl indole-4-carboxylate,indole-4-carboxylic acid methyl ester,1h-indole-4-carboxylic acid methyl ester,methyl 4-indolecarboxylate,4-indole-carboxylic acid methyl ester,1h-indole-4-carboxylic acid, methyl ester,4-methoxycarbonylindole,4-methoxycarbonyl-1h-indole,indole-4-carboxylate,pubchem1705 PubChem CID: 2733668 IUPAC Name: methyl 1H-indole-4-carboxylate SMILES: COC(=O)C1=C2C=CNC2=CC=C1

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Specifications

PubChem CID	2733668
CAS	39830-66-5
Molecular Weight (g/mol)	175.187
MDL Number	MFCD00191222
SMILES	COC(=O)C1=C2C=CNC2=CC=C1
Synonym	methyl indole-4-carboxylate,indole-4-carboxylic acid methyl ester,1h-indole-4-carboxylic acid methyl ester,methyl 4-indolecarboxylate,4-indole-carboxylic acid methyl ester,1h-indole-4-carboxylic acid, methyl ester,4-methoxycarbonylindole,4-methoxycarbonyl-1h-indole,indole-4-carboxylate,pubchem1705
IUPAC Name	methyl 1H-indole-4-carboxylate
InChI Key	WEAXQUBYRSEBJD-UHFFFAOYSA-N
Molecular Formula	C10H9NO2

2,070

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Isoquinoline-1-carbonitrile, 99%

CAS: 1198-30-7 Molecular Formula: C10H6N2 Molecular Weight (g/mol): 154.172 MDL Number: MFCD00134166 InChI Key: HJHXYSBRTVFEDD-UHFFFAOYSA-N Synonym: 1-cyanoisoquinoline,1-isoquinolinecarbonitrile,isoquinaldonitrile,isoquinolinecarbonitrile,1-cyano-isoquinoline,isoquinaldinic nitrile,pubchem6269,maybridge1_002114,timtec-bb sbb002487 PubChem CID: 306057 IUPAC Name: isoquinoline-1-carbonitrile SMILES: C1=CC=C2C(=C1)C=CN=C2C#N

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Specifications

PubChem CID	306057
CAS	1198-30-7
Molecular Weight (g/mol)	154.172
MDL Number	MFCD00134166
SMILES	C1=CC=C2C(=C1)C=CN=C2C#N
Synonym	1-cyanoisoquinoline,1-isoquinolinecarbonitrile,isoquinaldonitrile,isoquinolinecarbonitrile,1-cyano-isoquinoline,isoquinaldinic nitrile,pubchem6269,maybridge1_002114,timtec-bb sbb002487
IUPAC Name	isoquinoline-1-carbonitrile
InChI Key	HJHXYSBRTVFEDD-UHFFFAOYSA-N
Molecular Formula	C10H6N2

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