Organoheterocyclic compounds
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1,2,3,4,8,9,10,11,15,16,17,18,22,23,24,25-Hexadecafluorophthalocyanine Copper(II) (purified by sublimation) 98.0+%, TCI America™
CAS: 14916-87-1 Molecular Formula: C32H2CuF16N8 Molecular Weight (g/mol): 865.944 MDL Number: MFCD00274642 InChI Key: NKBVANSQKHVZHF-UHFFFAOYSA-N Synonym: Copper(II) 1,2,3,4,8,9,10,11,15,16,17,18,22,23,24,25-Hexadecafluorophthalocyanine, F16CuPc PubChem CID: 87077853 SMILES: C12=C(C(=C(C(=C1F)F)F)F)C3=NC4=NC(=NC5=NC(=NC6=C7C(=C(N6)N=C2N3)C(=C(C(=C7F)F)F)F)C8=C5C(=C(C(=C8F)F)F)F)C9=C4C(=C(C(=C9F)F)F)F.[Cu]
| PubChem CID | 87077853 |
|---|---|
| CAS | 14916-87-1 |
| Molecular Weight (g/mol) | 865.944 |
| MDL Number | MFCD00274642 |
| SMILES | C12=C(C(=C(C(=C1F)F)F)F)C3=NC4=NC(=NC5=NC(=NC6=C7C(=C(N6)N=C2N3)C(=C(C(=C7F)F)F)F)C8=C5C(=C(C(=C8F)F)F)F)C9=C4C(=C(C(=C9F)F)F)F.[Cu] |
| Synonym | Copper(II) 1,2,3,4,8,9,10,11,15,16,17,18,22,23,24,25-Hexadecafluorophthalocyanine, F16CuPc |
| InChI Key | NKBVANSQKHVZHF-UHFFFAOYSA-N |
| Molecular Formula | C32H2CuF16N8 |
Indole 99.0+%, TCI America™
CAS: 120-72-9 Molecular Formula: C8H7N Molecular Weight (g/mol): 117.151 MDL Number: MFCD00005607 InChI Key: SIKJAQJRHWYJAI-UHFFFAOYSA-N Synonym: indole,indol,2,3-benzopyrrole,1-benzazole,ketole,1-azaindene,benzopyrrole,2,3-benzopyrole,caswell no. 498b,indol german PubChem CID: 798 ChEBI: CHEBI:16881 IUPAC Name: 1H-indole SMILES: C1=CC=C2C(=C1)C=CN2
| PubChem CID | 798 |
|---|---|
| CAS | 120-72-9 |
| Molecular Weight (g/mol) | 117.151 |
| ChEBI | CHEBI:16881 |
| MDL Number | MFCD00005607 |
| SMILES | C1=CC=C2C(=C1)C=CN2 |
| Synonym | indole,indol,2,3-benzopyrrole,1-benzazole,ketole,1-azaindene,benzopyrrole,2,3-benzopyrole,caswell no. 498b,indol german |
| IUPAC Name | 1H-indole |
| InChI Key | SIKJAQJRHWYJAI-UHFFFAOYSA-N |
| Molecular Formula | C8H7N |
2-Mercaptobenzothiazole 99.0+%, TCI America™
CAS: 149-30-4 Molecular Formula: C7H5NS2 Molecular Weight (g/mol): 167.244 MDL Number: MFCD00005781 InChI Key: YXIWHUQXZSMYRE-UHFFFAOYSA-N Synonym: 2-mercaptobenzothiazole,2-benzothiazolethiol,captax,benzothiazolethiol,2 3h-benzothiazolethione,benzothiazole-2-thiol,1,3-benzothiazole-2-thiol,benzo d thiazole-2-thiol,rokon,rotax PubChem CID: 697993 ChEBI: CHEBI:34292 IUPAC Name: 3H-1,3-benzothiazole-2-thione SMILES: C1=CC=C2C(=C1)NC(=S)S2
| PubChem CID | 697993 |
|---|---|
| CAS | 149-30-4 |
| Molecular Weight (g/mol) | 167.244 |
| ChEBI | CHEBI:34292 |
| MDL Number | MFCD00005781 |
| SMILES | C1=CC=C2C(=C1)NC(=S)S2 |
| Synonym | 2-mercaptobenzothiazole,2-benzothiazolethiol,captax,benzothiazolethiol,2 3h-benzothiazolethione,benzothiazole-2-thiol,1,3-benzothiazole-2-thiol,benzo d thiazole-2-thiol,rokon,rotax |
| IUPAC Name | 3H-1,3-benzothiazole-2-thione |
| InChI Key | YXIWHUQXZSMYRE-UHFFFAOYSA-N |
| Molecular Formula | C7H5NS2 |
Ciprofloxacin Hydrochloride Monohydrate 98.0+%, TCI America™
CAS: 86393-32-0 Molecular Formula: C17H21ClFN3O4 Molecular Weight (g/mol): 385.82 MDL Number: MFCD00242856 InChI Key: ARPUHYJMCVWYCZ-UHFFFAOYSA-N Synonym: ciprofloxacin hydrochloride monohydrate,ciloxan,ceprimax,oftacilox,proquin xr,cipro,floxacipron,belmacina,ciflosin,ciprocinal PubChem CID: 62998 ChEBI: CHEBI:59936 IUPAC Name: hydrogen 1-cyclopropyl-6-fluoro-4-oxo-7-(piperazin-1-yl)-1,4-dihydroquinoline-3-carboxylic acid hydrate chloride SMILES: [H+].O.[Cl-].OC(=O)C1=CN(C2CC2)C2=CC(N3CCNCC3)=C(F)C=C2C1=O
| PubChem CID | 62998 |
|---|---|
| CAS | 86393-32-0 |
| Molecular Weight (g/mol) | 385.82 |
| ChEBI | CHEBI:59936 |
| MDL Number | MFCD00242856 |
| SMILES | [H+].O.[Cl-].OC(=O)C1=CN(C2CC2)C2=CC(N3CCNCC3)=C(F)C=C2C1=O |
| Synonym | ciprofloxacin hydrochloride monohydrate,ciloxan,ceprimax,oftacilox,proquin xr,cipro,floxacipron,belmacina,ciflosin,ciprocinal |
| IUPAC Name | hydrogen 1-cyclopropyl-6-fluoro-4-oxo-7-(piperazin-1-yl)-1,4-dihydroquinoline-3-carboxylic acid hydrate chloride |
| InChI Key | ARPUHYJMCVWYCZ-UHFFFAOYSA-N |
| Molecular Formula | C17H21ClFN3O4 |
2-(4-Amidinophenyl)indole-6-carboxamidine Dihydrochloride 90.0+%, TCI America™
CAS: 28718-90-3 Molecular Formula: C16H17Cl2N5 Molecular Weight (g/mol): 350.25 MDL Number: MFCD00012681 InChI Key: FPNZBYLXNYPRLR-UHFFFAOYSA-N Synonym: 4',6-diamidino-2-phenylindole dihydrochloride,dapi dihydrochloride,dapi, dihydrochloride,2-4-carbamimidoylphenyl-1h-indole-6-carboximidamide dihydrochloride,dapi hydrochloride,2-phenylindole-4',6-dicarboxamidine dihydrohydrochloride hydrate,2-4-amidinophenyl-6-indolecarbamidine dihydrochloride,4′,6-diamidino-2-phenylindole, 2hcl,ccris 8836 PubChem CID: 160166 IUPAC Name: dihydrogen 2-(4-carbamimidoylphenyl)-1H-indole-6-carboximidamide dichloride SMILES: [H+].[H+].[Cl-].[Cl-].NC(=N)C1=CC=C(C=C1)C1=CC2=CC=C(C=C2N1)C(N)=N
| PubChem CID | 160166 |
|---|---|
| CAS | 28718-90-3 |
| Molecular Weight (g/mol) | 350.25 |
| MDL Number | MFCD00012681 |
| SMILES | [H+].[H+].[Cl-].[Cl-].NC(=N)C1=CC=C(C=C1)C1=CC2=CC=C(C=C2N1)C(N)=N |
| Synonym | 4',6-diamidino-2-phenylindole dihydrochloride,dapi dihydrochloride,dapi, dihydrochloride,2-4-carbamimidoylphenyl-1h-indole-6-carboximidamide dihydrochloride,dapi hydrochloride,2-phenylindole-4',6-dicarboxamidine dihydrohydrochloride hydrate,2-4-amidinophenyl-6-indolecarbamidine dihydrochloride,4′,6-diamidino-2-phenylindole, 2hcl,ccris 8836 |
| IUPAC Name | dihydrogen 2-(4-carbamimidoylphenyl)-1H-indole-6-carboximidamide dichloride |
| InChI Key | FPNZBYLXNYPRLR-UHFFFAOYSA-N |
| Molecular Formula | C16H17Cl2N5 |
1,2,3-Benzotriazole 98.0+%, TCI America™
CAS: 95-14-7 Molecular Formula: C6H5N3 Molecular Weight (g/mol): 119.127 MDL Number: MFCD00005699 InChI Key: QRUDEWIWKLJBPS-UHFFFAOYSA-N Synonym: 1h-benzotriazole,benzotriazole,1,2,3-benzotriazole,1h-benzo d 1,2,3 triazole,azimidobenzene,1h-1,2,3-benzotriazole,aziminobenzene,benztriazole,benzene azimide,benzisotriazole PubChem CID: 7220 ChEBI: CHEBI:75331 IUPAC Name: 2H-benzotriazole SMILES: C1=CC2=NNN=C2C=C1
| PubChem CID | 7220 |
|---|---|
| CAS | 95-14-7 |
| Molecular Weight (g/mol) | 119.127 |
| ChEBI | CHEBI:75331 |
| MDL Number | MFCD00005699 |
| SMILES | C1=CC2=NNN=C2C=C1 |
| Synonym | 1h-benzotriazole,benzotriazole,1,2,3-benzotriazole,1h-benzo d 1,2,3 triazole,azimidobenzene,1h-1,2,3-benzotriazole,aziminobenzene,benztriazole,benzene azimide,benzisotriazole |
| IUPAC Name | 2H-benzotriazole |
| InChI Key | QRUDEWIWKLJBPS-UHFFFAOYSA-N |
| Molecular Formula | C6H5N3 |
3-Indoleacetic Acid 98.0+%, TCI America™
CAS: 87-51-4 Molecular Formula: C10H9NO2 Molecular Weight (g/mol): 175.19 MDL Number: MFCD00005636 InChI Key: SEOVTRFCIGRIMH-UHFFFAOYSA-N Synonym: indole-3-acetic acid,3-indoleacetic acid,heteroauxin,indoleacetic acid,1h-indole-3-acetic acid,2-1h-indol-3-yl acetic acid,rhizopin,1h-indol-3-ylacetic acid,indol-3-ylacetic acid,rhizopon a PubChem CID: 802 ChEBI: CHEBI:16411 IUPAC Name: 2-(1H-indol-3-yl)acetic acid SMILES: OC(=O)CC1=CNC2=CC=CC=C12
| PubChem CID | 802 |
|---|---|
| CAS | 87-51-4 |
| Molecular Weight (g/mol) | 175.19 |
| ChEBI | CHEBI:16411 |
| MDL Number | MFCD00005636 |
| SMILES | OC(=O)CC1=CNC2=CC=CC=C12 |
| Synonym | indole-3-acetic acid,3-indoleacetic acid,heteroauxin,indoleacetic acid,1h-indole-3-acetic acid,2-1h-indol-3-yl acetic acid,rhizopin,1h-indol-3-ylacetic acid,indol-3-ylacetic acid,rhizopon a |
| IUPAC Name | 2-(1H-indol-3-yl)acetic acid |
| InChI Key | SEOVTRFCIGRIMH-UHFFFAOYSA-N |
| Molecular Formula | C10H9NO2 |
Imidazole 98.0+%, TCI America™
CAS: 288-32-4 Molecular Formula: C3H4N2 Molecular Weight (g/mol): 68.08 MDL Number: MFCD00005183 InChI Key: RAXXELZNTBOGNW-UHFFFAOYSA-N Synonym: imidazole,glyoxaline,imidazol,iminazole,miazole,1,3-diazole,glyoxalin,imutex,1,3-diaza-2,4-cyclopentadiene,pyrro b monazole PubChem CID: 795 ChEBI: CHEBI:16069 IUPAC Name: 1H-imidazole SMILES: N1C=CN=C1
| PubChem CID | 795 |
|---|---|
| CAS | 288-32-4 |
| Molecular Weight (g/mol) | 68.08 |
| ChEBI | CHEBI:16069 |
| MDL Number | MFCD00005183 |
| SMILES | N1C=CN=C1 |
| Synonym | imidazole,glyoxaline,imidazol,iminazole,miazole,1,3-diazole,glyoxalin,imutex,1,3-diaza-2,4-cyclopentadiene,pyrro b monazole |
| IUPAC Name | 1H-imidazole |
| InChI Key | RAXXELZNTBOGNW-UHFFFAOYSA-N |
| Molecular Formula | C3H4N2 |
Aniracetam 98.0+%, TCI America™
CAS: 72432-10-1 Molecular Formula: C12H13NO3 Molecular Weight (g/mol): 219.24 MDL Number: MFCD00153767 InChI Key: ZXNRTKGTQJPIJK-UHFFFAOYSA-N Synonym: aniracetam,draganon,sarpul,1-4-methoxybenzoyl-2-pyrrolidinone,ampamet,1-4-methoxybenzoyl pyrrolidin-2-one,1-p-anisoyl-2-pyrrolidinone,memodrin,aniracetamun inn-latin,aniracetam usan:inn:jan PubChem CID: 2196 ChEBI: CHEBI:47943 IUPAC Name: 1-(4-methoxybenzoyl)pyrrolidin-2-one SMILES: COC1=CC=C(C=C1)C(=O)N2CCCC2=O
| PubChem CID | 2196 |
|---|---|
| CAS | 72432-10-1 |
| Molecular Weight (g/mol) | 219.24 |
| ChEBI | CHEBI:47943 |
| MDL Number | MFCD00153767 |
| SMILES | COC1=CC=C(C=C1)C(=O)N2CCCC2=O |
| Synonym | aniracetam,draganon,sarpul,1-4-methoxybenzoyl-2-pyrrolidinone,ampamet,1-4-methoxybenzoyl pyrrolidin-2-one,1-p-anisoyl-2-pyrrolidinone,memodrin,aniracetamun inn-latin,aniracetam usan:inn:jan |
| IUPAC Name | 1-(4-methoxybenzoyl)pyrrolidin-2-one |
| InChI Key | ZXNRTKGTQJPIJK-UHFFFAOYSA-N |
| Molecular Formula | C12H13NO3 |
2,6-Lutidine 98.0+%, TCI America™
CAS: 108-48-5 Molecular Formula: C7H9N Molecular Weight (g/mol): 107.16 MDL Number: MFCD00006345 InChI Key: OISVCGZHLKNMSJ-UHFFFAOYSA-N Synonym: 2,6-lutidine,lutidine,pyridine, 2,6-dimethyl,2,6-dimethypyridine,alpha,alpha'-lutidine,alpha,alpha'-dimethylpyridine,2,6-dimethyl-pyridine,hsdb 79,unii-15fq5d0t3p,2,6-lutidene PubChem CID: 7937 ChEBI: CHEBI:32548 IUPAC Name: 2,6-dimethylpyridine SMILES: CC1=CC=CC(C)=N1
| PubChem CID | 7937 |
|---|---|
| CAS | 108-48-5 |
| Molecular Weight (g/mol) | 107.16 |
| ChEBI | CHEBI:32548 |
| MDL Number | MFCD00006345 |
| SMILES | CC1=CC=CC(C)=N1 |
| Synonym | 2,6-lutidine,lutidine,pyridine, 2,6-dimethyl,2,6-dimethypyridine,alpha,alpha'-lutidine,alpha,alpha'-dimethylpyridine,2,6-dimethyl-pyridine,hsdb 79,unii-15fq5d0t3p,2,6-lutidene |
| IUPAC Name | 2,6-dimethylpyridine |
| InChI Key | OISVCGZHLKNMSJ-UHFFFAOYSA-N |
| Molecular Formula | C7H9N |
1,1'-Oxalyldiimidazole 95.0+%, TCI America™
CAS: 18637-83-7 Molecular Formula: C8H6N4O2 Molecular Weight (g/mol): 190.16 MDL Number: MFCD00043067 InChI Key: ONRNRVLJHFFBJG-UHFFFAOYSA-N Synonym: 1,1'-oxalyldiimidazole,1,2-di 1h-imidazol-1-yl ethane-1,2-dione,1h-imidazole, 1,1'-1,2-dioxo-1,2-ethanediyl bis,oxalic acid diimidazolide,1,2-di imidazol-1-yl ethane-1,2-dione,bis imidazol-1-yl ethane-1,2-dione,1,1-oxalyldiimidazole,acmc-1cacg,1,1'-oxalyl-diimidazol,1,1'-oxalyldi 1h-imidazole PubChem CID: 100439 IUPAC Name: bis(1H-imidazol-1-yl)ethane-1,2-dione SMILES: O=C(N1C=CN=C1)C(=O)N1C=CN=C1
| PubChem CID | 100439 |
|---|---|
| CAS | 18637-83-7 |
| Molecular Weight (g/mol) | 190.16 |
| MDL Number | MFCD00043067 |
| SMILES | O=C(N1C=CN=C1)C(=O)N1C=CN=C1 |
| Synonym | 1,1'-oxalyldiimidazole,1,2-di 1h-imidazol-1-yl ethane-1,2-dione,1h-imidazole, 1,1'-1,2-dioxo-1,2-ethanediyl bis,oxalic acid diimidazolide,1,2-di imidazol-1-yl ethane-1,2-dione,bis imidazol-1-yl ethane-1,2-dione,1,1-oxalyldiimidazole,acmc-1cacg,1,1'-oxalyl-diimidazol,1,1'-oxalyldi 1h-imidazole |
| IUPAC Name | bis(1H-imidazol-1-yl)ethane-1,2-dione |
| InChI Key | ONRNRVLJHFFBJG-UHFFFAOYSA-N |
| Molecular Formula | C8H6N4O2 |
(2S,3S)-3-(tert-Butoxycarbonylamino)-1,2-epoxy-4-phenylbutane 98.0+%, TCI America™
CAS: 98737-29-2 Molecular Formula: C15H21NO3 Molecular Weight (g/mol): 263.337 MDL Number: MFCD02258997 InChI Key: NVPOUMXZERMIJK-QWHCGFSZSA-N Synonym: 2s,3s-1,2-epoxy-3-boc-amino-4-phenylbutane,2s,3s-n-t-boc-3-amino-1,2-epoxy-4-phenylbutane,tert-butyl s-1-s-oxiran-2-yl-2-phenylethyl carbamate,2s,3s-1,2-epoxy-3-tert-butoxycarbonylamino-4-phenylbutane,tert-butyl n-1s-1-2s-oxiran-2-yl-2-phenylethyl carbamate,tert-butyl s-r*,r*---1-oxiranyl-2-phenylethyl carbamate,tert-butyl n-1s-1-2s-oxiran-2-yl-2-phenyl-ethyl carbamate,2s,3s---3-t-boc-amino-1,2-epoxy-4-phenylbutane,ksc523o6b PubChem CID: 9903372 IUPAC Name: tert-butyl N-[(1S)-1-[(2S)-oxiran-2-yl]-2-phenylethyl]carbamate SMILES: CC(C)(C)OC(=O)NC(CC1=CC=CC=C1)C2CO2
| PubChem CID | 9903372 |
|---|---|
| CAS | 98737-29-2 |
| Molecular Weight (g/mol) | 263.337 |
| MDL Number | MFCD02258997 |
| SMILES | CC(C)(C)OC(=O)NC(CC1=CC=CC=C1)C2CO2 |
| Synonym | 2s,3s-1,2-epoxy-3-boc-amino-4-phenylbutane,2s,3s-n-t-boc-3-amino-1,2-epoxy-4-phenylbutane,tert-butyl s-1-s-oxiran-2-yl-2-phenylethyl carbamate,2s,3s-1,2-epoxy-3-tert-butoxycarbonylamino-4-phenylbutane,tert-butyl n-1s-1-2s-oxiran-2-yl-2-phenylethyl carbamate,tert-butyl s-r*,r*---1-oxiranyl-2-phenylethyl carbamate,tert-butyl n-1s-1-2s-oxiran-2-yl-2-phenyl-ethyl carbamate,2s,3s---3-t-boc-amino-1,2-epoxy-4-phenylbutane,ksc523o6b |
| IUPAC Name | tert-butyl N-[(1S)-1-[(2S)-oxiran-2-yl]-2-phenylethyl]carbamate |
| InChI Key | NVPOUMXZERMIJK-QWHCGFSZSA-N |
| Molecular Formula | C15H21NO3 |
2-Chloro-6-(trichloromethyl)pyridine 98.0+%, TCI America™
CAS: 1929-82-4 Molecular Formula: C6H3Cl4N Molecular Weight (g/mol): 230.90 MDL Number: MFCD00072500 InChI Key: DCUJJWWUNKIJPH-UHFFFAOYSA-N Synonym: 2-chloro-6-trichloromethyl pyridine,nitrapyrin,n-serve,pyridine, 2-chloro-6-trichloromethyl,dowco-163,n-serve nitrogen stabilizer,caswell no. 217,nitrapyrine iso-french,unii-8pce86u01w,nitrapyrin ansi:bsi:iso PubChem CID: 16004 ChEBI: CHEBI:81935 IUPAC Name: 2-chloro-6-(trichloromethyl)pyridine SMILES: ClC1=CC=CC(=N1)C(Cl)(Cl)Cl
| PubChem CID | 16004 |
|---|---|
| CAS | 1929-82-4 |
| Molecular Weight (g/mol) | 230.90 |
| ChEBI | CHEBI:81935 |
| MDL Number | MFCD00072500 |
| SMILES | ClC1=CC=CC(=N1)C(Cl)(Cl)Cl |
| Synonym | 2-chloro-6-trichloromethyl pyridine,nitrapyrin,n-serve,pyridine, 2-chloro-6-trichloromethyl,dowco-163,n-serve nitrogen stabilizer,caswell no. 217,nitrapyrine iso-french,unii-8pce86u01w,nitrapyrin ansi:bsi:iso |
| IUPAC Name | 2-chloro-6-(trichloromethyl)pyridine |
| InChI Key | DCUJJWWUNKIJPH-UHFFFAOYSA-N |
| Molecular Formula | C6H3Cl4N |
Prazosin Hydrochloride 98.0+%, TCI America™
CAS: 19237-84-4 Molecular Formula: C19H22ClN5O4 Molecular Weight (g/mol): 419.87 MDL Number: MFCD00058177 InChI Key: WFXFYZULCQKPIP-UHFFFAOYSA-N Synonym: prazosin hydrochloride,prazosin hcl,minipress,vasoflex,peripress,furazosin hydrochloride,deprazolin,hypovase,hypovasole,pratsiol PubChem CID: 68546 ChEBI: CHEBI:8365 IUPAC Name: hydrogen 2-[4-(furan-2-carbonyl)piperazin-1-yl]-6,7-dimethoxyquinazolin-4-amine chloride SMILES: [H+].[Cl-].COC1=C(OC)C=C2C(N)=NC(=NC2=C1)N1CCN(CC1)C(=O)C1=CC=CO1
| PubChem CID | 68546 |
|---|---|
| CAS | 19237-84-4 |
| Molecular Weight (g/mol) | 419.87 |
| ChEBI | CHEBI:8365 |
| MDL Number | MFCD00058177 |
| SMILES | [H+].[Cl-].COC1=C(OC)C=C2C(N)=NC(=NC2=C1)N1CCN(CC1)C(=O)C1=CC=CO1 |
| Synonym | prazosin hydrochloride,prazosin hcl,minipress,vasoflex,peripress,furazosin hydrochloride,deprazolin,hypovase,hypovasole,pratsiol |
| IUPAC Name | hydrogen 2-[4-(furan-2-carbonyl)piperazin-1-yl]-6,7-dimethoxyquinazolin-4-amine chloride |
| InChI Key | WFXFYZULCQKPIP-UHFFFAOYSA-N |
| Molecular Formula | C19H22ClN5O4 |
4,4,5,5-Tetramethyl-2-(p-tolyl)-1,3,2-dioxaborolane 98.0+%, TCI America™
CAS: 195062-57-8 Molecular Formula: C13H19BO2 Molecular Weight (g/mol): 218.103 MDL Number: MFCD03453662 InChI Key: GKSSEDDAXXEPCP-UHFFFAOYSA-N Synonym: p-Tolylboronic Acid Pinacol Ester, 4-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)toluene PubChem CID: 2774016 IUPAC Name: 4,4,5,5-tetramethyl-2-(4-methylphenyl)-1,3,2-dioxaborolane SMILES: B1(OC(C(O1)(C)C)(C)C)C2=CC=C(C=C2)C
| PubChem CID | 2774016 |
|---|---|
| CAS | 195062-57-8 |
| Molecular Weight (g/mol) | 218.103 |
| MDL Number | MFCD03453662 |
| SMILES | B1(OC(C(O1)(C)C)(C)C)C2=CC=C(C=C2)C |
| Synonym | p-Tolylboronic Acid Pinacol Ester, 4-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)toluene |
| IUPAC Name | 4,4,5,5-tetramethyl-2-(4-methylphenyl)-1,3,2-dioxaborolane |
| InChI Key | GKSSEDDAXXEPCP-UHFFFAOYSA-N |
| Molecular Formula | C13H19BO2 |