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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2,581 – 2,595 of 197,115 results

2,581

2-Amino-4,6-dimethylpyrimidine, 98%

CAS: 767-15-7 Molecular Formula: C6H9N3 Molecular Weight (g/mol): 123.16 MDL Number: MFCD00006102 InChI Key: IDQNBVFPZMCDDN-UHFFFAOYSA-N Synonym: 2-amino-4,6-dimethylpyrimidine,acetylacetoneguanidine,2-pyrimidinamine, 4,6-dimethyl,4,6-dimethyl-2-pyrimidinamine,4,6-dimethylpyrimidin-2-ylamine,4,6-dimethyl-2-aminopyrimidine,pyrimidine, 2-amino-4,6-dimethyl,unii-4s48mi253m,2-amine-4,6-dimethylpyrimidine,2-amino-4,6-dimethyl pyrimidine PubChem CID: 13021 IUPAC Name: 4,6-dimethylpyrimidin-2-amine SMILES: CC1=CC(C)=NC(N)=N1

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PubChem CID	13021
CAS	767-15-7
Molecular Weight (g/mol)	123.16
MDL Number	MFCD00006102
SMILES	CC1=CC(C)=NC(N)=N1
Synonym	2-amino-4,6-dimethylpyrimidine,acetylacetoneguanidine,2-pyrimidinamine, 4,6-dimethyl,4,6-dimethyl-2-pyrimidinamine,4,6-dimethylpyrimidin-2-ylamine,4,6-dimethyl-2-aminopyrimidine,pyrimidine, 2-amino-4,6-dimethyl,unii-4s48mi253m,2-amine-4,6-dimethylpyrimidine,2-amino-4,6-dimethyl pyrimidine
IUPAC Name	4,6-dimethylpyrimidin-2-amine
InChI Key	IDQNBVFPZMCDDN-UHFFFAOYSA-N
Molecular Formula	C6H9N3

2,582

2-Methylfuran, 98+%, stab.

CAS: 534-22-5 Molecular Formula: C5H6O Molecular Weight (g/mol): 82.102 MDL Number: MFCD00003248 InChI Key: VQKFNUFAXTZWDK-UHFFFAOYSA-N Synonym: methylfuran,sylvan,2-methyl furan,silvan,furan, 2-methyl,5-methylfuran,alpha-methylfuran,furan, methyl,silvan czech,.alpha.-methylfuran PubChem CID: 10797 IUPAC Name: 2-methylfuran SMILES: CC1=CC=CO1

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PubChem CID	10797
CAS	534-22-5
Molecular Weight (g/mol)	82.102
MDL Number	MFCD00003248
SMILES	CC1=CC=CO1
Synonym	methylfuran,sylvan,2-methyl furan,silvan,furan, 2-methyl,5-methylfuran,alpha-methylfuran,furan, methyl,silvan czech,.alpha.-methylfuran
IUPAC Name	2-methylfuran
InChI Key	VQKFNUFAXTZWDK-UHFFFAOYSA-N
Molecular Formula	C5H6O

2,583

5-Amino-3-methyl-1-phenylpyrazole, 97%

CAS: 1131-18-6 Molecular Formula: C₁₀H₁₁N₃ Molecular Weight (g/mol): 173.21 InChI Key: FMKMKBLHMONXJM-UHFFFAOYSA-N Synonym: 3-methyl-1-phenyl-1h-pyrazol-5-amine,5-amino-3-methyl-1-phenylpyrazole,1h-pyrazol-5-amine, 3-methyl-1-phenyl,1-phenyl-3-methyl-5-aminopyrazole,3-methyl-1-phenylpyrazol-5-ylamine,5-methyl-2-phenyl-2h-pyrazol-3-ylamine,1-phenyl-3-methyl-5-amino pyrazole,unii-x6087geb2p,pyrazole, 5-amino-3-methyl-1-phenyl,1h-pyrazole-5-amine, 3-methyl-1-phenyl PubChem CID: 70801 IUPAC Name: 5-methyl-2-phenylpyrazol-3-amine SMILES: CC1=NN(C(=C1)N)C2=CC=CC=C2

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Specifications

PubChem CID	70801
CAS	1131-18-6
Molecular Weight (g/mol)	173.21
SMILES	CC1=NN(C(=C1)N)C2=CC=CC=C2
Synonym	3-methyl-1-phenyl-1h-pyrazol-5-amine,5-amino-3-methyl-1-phenylpyrazole,1h-pyrazol-5-amine, 3-methyl-1-phenyl,1-phenyl-3-methyl-5-aminopyrazole,3-methyl-1-phenylpyrazol-5-ylamine,5-methyl-2-phenyl-2h-pyrazol-3-ylamine,1-phenyl-3-methyl-5-amino pyrazole,unii-x6087geb2p,pyrazole, 5-amino-3-methyl-1-phenyl,1h-pyrazole-5-amine, 3-methyl-1-phenyl
IUPAC Name	5-methyl-2-phenylpyrazol-3-amine
InChI Key	FMKMKBLHMONXJM-UHFFFAOYSA-N
Molecular Formula	C₁₀H₁₁N₃

2,584

1,4-Benzodioxan-6-carboxaldehyde, 98%, Thermo Scientific™

CAS: 29668-44-8 Molecular Formula: C₉H₈O₃ Molecular Weight (g/mol): 164.16 MDL Number: MFCD00010092 InChI Key: CWKXDPPQCVWXAG-UHFFFAOYSA-N Synonym: 1,4-benzodioxan-6-carboxaldehyde,1,4-benzodioxan-6-carbaldehyde,2,3-dihydrobenzo b 1,4 dioxine-6-carbaldehyde,1,4-benzodioxane-6-carboxaldehyde,3,4-ethylenedioxybenzaldehyde,1,4-benzodioxin-6-carboxaldehyde, 2,3-dihydro,7-formyl-1,4-benzodioxane,1,4-benzodioxane-6-aldehyde,2,3-dihydro-1,4-benzodioxin-6-carbaldehyde,1,4-benzodioxane-6-carbaldehyde PubChem CID: 248127 IUPAC Name: 2,3-dihydro-1,4-benzodioxine-6-carbaldehyde SMILES: C1COC2=C(O1)C=CC(=C2)C=O

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Specifications

PubChem CID	248127
CAS	29668-44-8
Molecular Weight (g/mol)	164.16
MDL Number	MFCD00010092
SMILES	C1COC2=C(O1)C=CC(=C2)C=O
Synonym	1,4-benzodioxan-6-carboxaldehyde,1,4-benzodioxan-6-carbaldehyde,2,3-dihydrobenzo b 1,4 dioxine-6-carbaldehyde,1,4-benzodioxane-6-carboxaldehyde,3,4-ethylenedioxybenzaldehyde,1,4-benzodioxin-6-carboxaldehyde, 2,3-dihydro,7-formyl-1,4-benzodioxane,1,4-benzodioxane-6-aldehyde,2,3-dihydro-1,4-benzodioxin-6-carbaldehyde,1,4-benzodioxane-6-carbaldehyde
IUPAC Name	2,3-dihydro-1,4-benzodioxine-6-carbaldehyde
InChI Key	CWKXDPPQCVWXAG-UHFFFAOYSA-N
Molecular Formula	C₉H₈O₃

2,585

8-(chloromethyl)-6-fluoro-4H-1,3-benzodioxine, 97%, Thermo Scientific™

CAS: 131728-94-4 Molecular Formula: C9H8ClFO2 Molecular Weight (g/mol): 202.61 MDL Number: MFCD00052603 InChI Key: FMONGDHUPLQOCP-UHFFFAOYSA-N Synonym: 8-chloromethyl-6-fluoro-4h-1,3-benzodioxine,8-chloromethyl-6-fluoro-4h-benzo d 1,3 dioxine,4h-1,3-benzodioxin,8-chloromethyl-6-fluoro,8-chloromethyl-6-fluoro-2,4-dihydro-1,3-benzodioxine,8-chloromethyl-6-fluorobenzo-1,3-dioxane,acmc-1c5x1,8-chloromethyl-6-fluoro-4h-benzo 1,3 dioxine,8-chloromethyl-6-fluoro-2h,4h-1,3-benzodioxine,8-chloromethyl-6-fluoro-2h,4h-benzo e 1,3-dioxin PubChem CID: 2780137 IUPAC Name: 8-(chloromethyl)-6-fluoro-4H-1,3-benzodioxine SMILES: FC1=CC(CCl)=C2OCOCC2=C1

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Specifications

PubChem CID	2780137
CAS	131728-94-4
Molecular Weight (g/mol)	202.61
MDL Number	MFCD00052603
SMILES	FC1=CC(CCl)=C2OCOCC2=C1
Synonym	8-chloromethyl-6-fluoro-4h-1,3-benzodioxine,8-chloromethyl-6-fluoro-4h-benzo d 1,3 dioxine,4h-1,3-benzodioxin,8-chloromethyl-6-fluoro,8-chloromethyl-6-fluoro-2,4-dihydro-1,3-benzodioxine,8-chloromethyl-6-fluorobenzo-1,3-dioxane,acmc-1c5x1,8-chloromethyl-6-fluoro-4h-benzo 1,3 dioxine,8-chloromethyl-6-fluoro-2h,4h-1,3-benzodioxine,8-chloromethyl-6-fluoro-2h,4h-benzo e 1,3-dioxin
IUPAC Name	8-(chloromethyl)-6-fluoro-4H-1,3-benzodioxine
InChI Key	FMONGDHUPLQOCP-UHFFFAOYSA-N
Molecular Formula	C9H8ClFO2

2,586

2-(1-Pyrrolyl)benzoic acid, 99%

CAS: 10333-68-3 Molecular Formula: C11H9NO2 Molecular Weight (g/mol): 187.20 MDL Number: MFCD00051645 InChI Key: GNWTWXOZRSBCOZ-UHFFFAOYSA-N Synonym: 2-1h-pyrrol-1-yl benzoic acid,2-1-pyrrolyl benzoic acid,1-2-carboxyphenyl pyrrole,2-pyrrol-1-yl benzoic acid,2-pyrrol-1-yl-benzoic acid,2-pyrrolylbenzoic acid,maybridge1_002677,1-o-carboxyphenyl pyrrole,n-2-carboxyphenyl pyrrole,1h-pyrrol-1-ylbenzoic acid PubChem CID: 728521 IUPAC Name: 2-pyrrol-1-ylbenzoic acid SMILES: OC(=O)C1=CC=CC=C1N1C=CC=C1

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Specifications

PubChem CID	728521
CAS	10333-68-3
Molecular Weight (g/mol)	187.20
MDL Number	MFCD00051645
SMILES	OC(=O)C1=CC=CC=C1N1C=CC=C1
Synonym	2-1h-pyrrol-1-yl benzoic acid,2-1-pyrrolyl benzoic acid,1-2-carboxyphenyl pyrrole,2-pyrrol-1-yl benzoic acid,2-pyrrol-1-yl-benzoic acid,2-pyrrolylbenzoic acid,maybridge1_002677,1-o-carboxyphenyl pyrrole,n-2-carboxyphenyl pyrrole,1h-pyrrol-1-ylbenzoic acid
IUPAC Name	2-pyrrol-1-ylbenzoic acid
InChI Key	GNWTWXOZRSBCOZ-UHFFFAOYSA-N
Molecular Formula	C11H9NO2

2,587

[2-(1H-Pyrrol-1-yl)phenyl]methanol, 97%, Thermo Scientific™

CAS: 61034-86-4 Molecular Formula: C11H11NO Molecular Weight (g/mol): 173.215 MDL Number: MFCD04115123 InChI Key: PMFMGYSILUCETA-UHFFFAOYSA-N Synonym: 2-1h-pyrrol-1-yl phenyl methanol,2-1h-pyrrol-1-yl benzyl alcohol,2-pyrrol-1-yl-phenyl-methanol,2-pyrrol-1-yl phenyl methanol,2-1h-pyrrol-1-yl benzylalcohol,pubchem11305,2-pyrrolylphenyl methan-1-ol,2-pyrrol-1-yl-benzyl alcohol,1-2-hydroxymethyl phenyl-1h-pyrrole PubChem CID: 7016493 IUPAC Name: (2-pyrrol-1-ylphenyl)methanol SMILES: C1=CC=C(C(=C1)CO)N2C=CC=C2

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PubChem CID	7016493
CAS	61034-86-4
Molecular Weight (g/mol)	173.215
MDL Number	MFCD04115123
SMILES	C1=CC=C(C(=C1)CO)N2C=CC=C2
Synonym	2-1h-pyrrol-1-yl phenyl methanol,2-1h-pyrrol-1-yl benzyl alcohol,2-pyrrol-1-yl-phenyl-methanol,2-pyrrol-1-yl phenyl methanol,2-1h-pyrrol-1-yl benzylalcohol,pubchem11305,2-pyrrolylphenyl methan-1-ol,2-pyrrol-1-yl-benzyl alcohol,1-2-hydroxymethyl phenyl-1h-pyrrole
IUPAC Name	(2-pyrrol-1-ylphenyl)methanol
InChI Key	PMFMGYSILUCETA-UHFFFAOYSA-N
Molecular Formula	C11H11NO

2,588

3-(1H-Pyrrol-1-yl)benzaldehyde, 95+%, Thermo Scientific™

CAS: 129747-77-9 Molecular Formula: C11H9NO Molecular Weight (g/mol): 171.20 MDL Number: MFCD03086140 InChI Key: PALTUANHIBXQMX-UHFFFAOYSA-N PubChem CID: 2776528 IUPAC Name: 3-pyrrol-1-ylbenzaldehyde SMILES: O=CC1=CC(=CC=C1)N1C=CC=C1

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Specifications

PubChem CID	2776528
CAS	129747-77-9
Molecular Weight (g/mol)	171.20
MDL Number	MFCD03086140
SMILES	O=CC1=CC(=CC=C1)N1C=CC=C1
IUPAC Name	3-pyrrol-1-ylbenzaldehyde
InChI Key	PALTUANHIBXQMX-UHFFFAOYSA-N
Molecular Formula	C11H9NO

2,589

2-(2,5-Dimethyl-1H-pyrrol-1-yl)benzoic acid, 97%, Thermo Scientific™

CAS: 92028-57-4 Molecular Formula: C13H13NO2 Molecular Weight (g/mol): 215.25 MDL Number: MFCD01125264 InChI Key: ZLYUUANOICYAAL-UHFFFAOYSA-N Synonym: 2-2,5-dimethyl-1h-pyrrol-1-yl benzoic acid,2-2,5-dimethylpyrrol-1-yl benzoic acid,2-2,5-dimethyl-1-pyrrolyl benzoic acid,2-2,5-dimethyl-pyrrol-1-yl-benzoic acid,2-2,5-dimethylpyrrolyl benzoic acid,cbmicro_048042,benzoic acid,2-2,5-dimethyl-1h-pyrrol-1-yl PubChem CID: 292956 IUPAC Name: 2-(2,5-dimethylpyrrol-1-yl)benzoic acid SMILES: CC1=CC=C(C)N1C1=CC=CC=C1C(O)=O

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Specifications

PubChem CID	292956
CAS	92028-57-4
Molecular Weight (g/mol)	215.25
MDL Number	MFCD01125264
SMILES	CC1=CC=C(C)N1C1=CC=CC=C1C(O)=O
Synonym	2-2,5-dimethyl-1h-pyrrol-1-yl benzoic acid,2-2,5-dimethylpyrrol-1-yl benzoic acid,2-2,5-dimethyl-1-pyrrolyl benzoic acid,2-2,5-dimethyl-pyrrol-1-yl-benzoic acid,2-2,5-dimethylpyrrolyl benzoic acid,cbmicro_048042,benzoic acid,2-2,5-dimethyl-1h-pyrrol-1-yl
IUPAC Name	2-(2,5-dimethylpyrrol-1-yl)benzoic acid
InChI Key	ZLYUUANOICYAAL-UHFFFAOYSA-N
Molecular Formula	C13H13NO2

2,590

5-Formyl-2,4-dimethylpyrrole-3-carboxylic acid, 96%

CAS: 253870-02-9 Molecular Formula: C8H9NO3 Molecular Weight (g/mol): 167.164 MDL Number: MFCD06202342 InChI Key: YCIHQDVIAISDPS-UHFFFAOYSA-N Synonym: 5-formyl-2,4-dimethylpyrrole-3-carboxylic acid,2,4-dimethyl-5-formylpyrrole-3-carboxylic acid,3,5-dimethyl-2-formylpyrrole-4-carboxylic acid,1h-pyrrole-3-carboxylic acid, 5-formyl-2,4-dimethyl,5-formyl-2,4-dimethyl-1h-pyrrole-3-carboxylicacid,3,5-dimethyl-2-formyl-1h-pyrrole-4-carboxylic acid,3,5-dimethyl-2-formylindole-4-carboxylic acid,zlchem 714,pubchem9414,acmc-209zxq PubChem CID: 11073792 IUPAC Name: 5-formyl-2,4-dimethyl-1H-pyrrole-3-carboxylic acid SMILES: CC1=C(NC(=C1C(=O)O)C)C=O

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Specifications

PubChem CID	11073792
CAS	253870-02-9
Molecular Weight (g/mol)	167.164
MDL Number	MFCD06202342
SMILES	CC1=C(NC(=C1C(=O)O)C)C=O
Synonym	5-formyl-2,4-dimethylpyrrole-3-carboxylic acid,2,4-dimethyl-5-formylpyrrole-3-carboxylic acid,3,5-dimethyl-2-formylpyrrole-4-carboxylic acid,1h-pyrrole-3-carboxylic acid, 5-formyl-2,4-dimethyl,5-formyl-2,4-dimethyl-1h-pyrrole-3-carboxylicacid,3,5-dimethyl-2-formyl-1h-pyrrole-4-carboxylic acid,3,5-dimethyl-2-formylindole-4-carboxylic acid,zlchem 714,pubchem9414,acmc-209zxq
IUPAC Name	5-formyl-2,4-dimethyl-1H-pyrrole-3-carboxylic acid
InChI Key	YCIHQDVIAISDPS-UHFFFAOYSA-N
Molecular Formula	C8H9NO3

2,591

Thermo Scientific Chemicals Atorvastatin calcium trihydrate

CAS: 344423-98-9 Molecular Formula: C66H74CaF2N4O13 Molecular Weight (g/mol): 1209.41 InChI Key: SHZPNDRIDUBNMH-NIJVSVLQSA-L IUPAC Name: calcium bis((3R,5R)-7-[2-(4-fluorophenyl)-3-phenyl-4-(phenylcarbamoyl)-5-(propan-2-yl)-1H-pyrrol-1-yl]-3,5-dihydroxyheptanoate) trihydrate SMILES: O.O.O.[Ca++].CC(C)C1=C(C(=O)NC2=CC=CC=C2)C(=C(N1CC[C@@H](O)C[C@@H](O)CC([O-])=O)C1=CC=C(F)C=C1)C1=CC=CC=C1.CC(C)C1=C(C(=O)NC2=CC=CC=C2)C(=C(N1CC[C@@H](O)C[C@@H](O)CC([O-])=O)C1=CC=C(F)C=C1)C1=CC=CC=C1

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Specifications

CAS	344423-98-9
Molecular Weight (g/mol)	1209.41
SMILES	O.O.O.[Ca++].CC(C)C1=C(C(=O)NC2=CC=CC=C2)C(=C(N1CC[C@@H](O)C[C@@H](O)CC([O-])=O)C1=CC=C(F)C=C1)C1=CC=CC=C1.CC(C)C1=C(C(=O)NC2=CC=CC=C2)C(=C(N1CC[C@@H](O)C[C@@H](O)CC([O-])=O)C1=CC=C(F)C=C1)C1=CC=CC=C1
IUPAC Name	calcium bis((3R,5R)-7-[2-(4-fluorophenyl)-3-phenyl-4-(phenylcarbamoyl)-5-(propan-2-yl)-1H-pyrrol-1-yl]-3,5-dihydroxyheptanoate) trihydrate
InChI Key	SHZPNDRIDUBNMH-NIJVSVLQSA-L
Molecular Formula	C66H74CaF2N4O13

2,592

4-(1H-Pyrrol-1-yl)benzonitrile, 97%, Thermo Scientific™

CAS: 23351-07-7 Molecular Formula: C11H8N2 Molecular Weight (g/mol): 168.20 MDL Number: MFCD00085164 InChI Key: OKVSZRKKRHNDOL-UHFFFAOYSA-N Synonym: 4-1h-pyrrol-1-yl benzonitrile,1-4-cyanophenyl pyrrole,n-4-cyanophenyl pyrrole,benzonitrile, 4-pyrrol-1-yl,4-1-pyrrolyl benzonitrile,4-pyrrol-1-yl benzonitrile,4-pyrrolylbenzenecarbonitrile,acmc-1cekp,maybridge1_001756,1-4-cyanophenyl-pyrrole PubChem CID: 272424 SMILES: N#CC1=CC=C(C=C1)N1C=CC=C1

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Specifications

PubChem CID	272424
CAS	23351-07-7
Molecular Weight (g/mol)	168.20
MDL Number	MFCD00085164
SMILES	N#CC1=CC=C(C=C1)N1C=CC=C1
Synonym	4-1h-pyrrol-1-yl benzonitrile,1-4-cyanophenyl pyrrole,n-4-cyanophenyl pyrrole,benzonitrile, 4-pyrrol-1-yl,4-1-pyrrolyl benzonitrile,4-pyrrol-1-yl benzonitrile,4-pyrrolylbenzenecarbonitrile,acmc-1cekp,maybridge1_001756,1-4-cyanophenyl-pyrrole
InChI Key	OKVSZRKKRHNDOL-UHFFFAOYSA-N
Molecular Formula	C11H8N2

2,593

1-(4-Iodophenyl)pyrrole, 97%

CAS: 92636-36-7 Molecular Formula: C10H8IN Molecular Weight (g/mol): 269.085 MDL Number: MFCD00052399 InChI Key: FMURNAZHVQDQQN-UHFFFAOYSA-N Synonym: 1-4-iodophenyl pyrrole,1-4-iodophenyl-1h-pyrrole,acmc-20apaj,4-iodophenyl pyrrole,maybridge1_002926,1-4-iodo-phenyl-1h-pyrrole,1h-pyrrole,1-4-iodophenyl,1-4-iodophenyl-1h-pyrrole # PubChem CID: 272430 IUPAC Name: 1-(4-iodophenyl)pyrrole SMILES: C1=CN(C=C1)C2=CC=C(C=C2)I

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Specifications

PubChem CID	272430
CAS	92636-36-7
Molecular Weight (g/mol)	269.085
MDL Number	MFCD00052399
SMILES	C1=CN(C=C1)C2=CC=C(C=C2)I
Synonym	1-4-iodophenyl pyrrole,1-4-iodophenyl-1h-pyrrole,acmc-20apaj,4-iodophenyl pyrrole,maybridge1_002926,1-4-iodo-phenyl-1h-pyrrole,1h-pyrrole,1-4-iodophenyl,1-4-iodophenyl-1h-pyrrole #
IUPAC Name	1-(4-iodophenyl)pyrrole
InChI Key	FMURNAZHVQDQQN-UHFFFAOYSA-N
Molecular Formula	C10H8IN

2,594

5-Bromo-1-methyl-1H-indole-3-carboxylic acid, 97%

CAS: 400071-95-6 Molecular Formula: C₁₀H₈BrNO₂ Molecular Weight (g/mol): 254.08 MDL Number: MFCD14706162 InChI Key: WQZLFFJMRKTCMU-UHFFFAOYSA-N Synonym: 5-bromo-1-methyl-1h-indole-3-carboxylic acid,5-bromo-1-methyl-1h-indole-3-carboxylicacid,1h-indole-3-carboxylic acid, 5-bromo-1-methyl,ksc230c9b,5-bromo-1-methyl-1h-indole-3-carboxylic acid; PubChem CID: 11032413 IUPAC Name: 5-bromo-1-methylindole-3-carboxylic acid SMILES: CN1C=C(C2=C1C=CC(=C2)Br)C(=O)O

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Specifications

PubChem CID	11032413
CAS	400071-95-6
Molecular Weight (g/mol)	254.08
MDL Number	MFCD14706162
SMILES	CN1C=C(C2=C1C=CC(=C2)Br)C(=O)O
Synonym	5-bromo-1-methyl-1h-indole-3-carboxylic acid,5-bromo-1-methyl-1h-indole-3-carboxylicacid,1h-indole-3-carboxylic acid, 5-bromo-1-methyl,ksc230c9b,5-bromo-1-methyl-1h-indole-3-carboxylic acid;
IUPAC Name	5-bromo-1-methylindole-3-carboxylic acid
InChI Key	WQZLFFJMRKTCMU-UHFFFAOYSA-N
Molecular Formula	C₁₀H₈BrNO₂

2,595

Indole-3-carboxylic acid, 99%

CAS: 771-50-6 Molecular Formula: C₉H₇NO₂ Molecular Weight (g/mol): 161.16 MDL Number: MFCD00005624 InChI Key: KMAKOBLIOCQGJP-UHFFFAOYSA-N Synonym: indole-3-carboxylic acid,3-indoleformic acid,3-carboxyindole,indole-3-carboxylicacid,3-indolecarboxylic acid,indole-3-carboxylate,3-indolylcarboxylic acid,beta-indolylcarboxylic acid,indole-3 carboxylic acid,ico PubChem CID: 69867 ChEBI: CHEBI:24809 IUPAC Name: 1H-indole-3-carboxylic acid SMILES: C1=CC=C2C(=C1)C(=CN2)C(=O)O

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Specifications

PubChem CID	69867
CAS	771-50-6
Molecular Weight (g/mol)	161.16
ChEBI	CHEBI:24809
MDL Number	MFCD00005624
SMILES	C1=CC=C2C(=C1)C(=CN2)C(=O)O
Synonym	indole-3-carboxylic acid,3-indoleformic acid,3-carboxyindole,indole-3-carboxylicacid,3-indolecarboxylic acid,indole-3-carboxylate,3-indolylcarboxylic acid,beta-indolylcarboxylic acid,indole-3 carboxylic acid,ico
IUPAC Name	1H-indole-3-carboxylic acid
InChI Key	KMAKOBLIOCQGJP-UHFFFAOYSA-N
Molecular Formula	C₉H₇NO₂

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