Benzenoids
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Rebamipide 98.0+%, TCI America™
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CAS: 90098-04-7 Molecular Formula: C19H15ClN2O4 Molecular Weight (g/mol): 370.79 MDL Number: MFCD00866895,MFCD11114396 InChI Key: ALLWOAVDORUJLA-UHFFFAOYNA-N Synonym: 2-(4-Chlorobenzamido)-3-[2(1H)-quinolinon-4-yl]propionic Acid PubChem CID: 5042 IUPAC Name: 2-[(4-chlorophenyl)formamido]-3-(2-oxo-1,2-dihydroquinolin-4-yl)propanoic acid SMILES: OC(=O)C(CC1=CC(=O)NC2=CC=CC=C12)NC(=O)C1=CC=C(Cl)C=C1
| PubChem CID | 5042 |
|---|---|
| CAS | 90098-04-7 |
| Molecular Weight (g/mol) | 370.79 |
| MDL Number | MFCD00866895,MFCD11114396 |
| SMILES | OC(=O)C(CC1=CC(=O)NC2=CC=CC=C12)NC(=O)C1=CC=C(Cl)C=C1 |
| Synonym | 2-(4-Chlorobenzamido)-3-[2(1H)-quinolinon-4-yl]propionic Acid |
| IUPAC Name | 2-[(4-chlorophenyl)formamido]-3-(2-oxo-1,2-dihydroquinolin-4-yl)propanoic acid |
| InChI Key | ALLWOAVDORUJLA-UHFFFAOYNA-N |
| Molecular Formula | C19H15ClN2O4 |
2-(Trifluoromethyl)phenyl Isocyanate 98.0+%, TCI America™
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CAS: 2285-12-3 Molecular Formula: C8H4F3NO Molecular Weight (g/mol): 187.12 MDL Number: MFCD00002008 InChI Key: GZWGTVZRRFPVAS-UHFFFAOYSA-N Synonym: 2-trifluoromethyl phenyl isocyanate,1-isocyanato-2-trifluoromethyl benzene,benzene, 1-isocyanato-2-trifluoromethyl,alpha,alpha,alpha-trifluoro-o-tolyl isocyanate,o-trifluoromethylphenylisocyanate,isocyanic acid, alpha,alpha,alpha-trifluoro-o-tolyl ester,o-trifluoromethyl phenyl isocyanate,2-trifluoromethyl phenylisocyanate,2-trifluoromethyl benzenisocyanate,isocyanic acid, .alpha.,.alpha.,.alpha.-trifluoro-o-tolyl ester PubChem CID: 16794 IUPAC Name: 1-isocyanato-2-(trifluoromethyl)benzene SMILES: C1=CC=C(C(=C1)C(F)(F)F)N=C=O
| PubChem CID | 16794 |
|---|---|
| CAS | 2285-12-3 |
| Molecular Weight (g/mol) | 187.12 |
| MDL Number | MFCD00002008 |
| SMILES | C1=CC=C(C(=C1)C(F)(F)F)N=C=O |
| Synonym | 2-trifluoromethyl phenyl isocyanate,1-isocyanato-2-trifluoromethyl benzene,benzene, 1-isocyanato-2-trifluoromethyl,alpha,alpha,alpha-trifluoro-o-tolyl isocyanate,o-trifluoromethylphenylisocyanate,isocyanic acid, alpha,alpha,alpha-trifluoro-o-tolyl ester,o-trifluoromethyl phenyl isocyanate,2-trifluoromethyl phenylisocyanate,2-trifluoromethyl benzenisocyanate,isocyanic acid, .alpha.,.alpha.,.alpha.-trifluoro-o-tolyl ester |
| IUPAC Name | 1-isocyanato-2-(trifluoromethyl)benzene |
| InChI Key | GZWGTVZRRFPVAS-UHFFFAOYSA-N |
| Molecular Formula | C8H4F3NO |
2,3-Benzofluorene 97.0+%, TCI America™
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CAS: 243-17-4 Molecular Formula: C17H12 Molecular Weight (g/mol): 216.28 MDL Number: MFCD00003595 InChI Key: HAPOJKSPCGLOOD-UHFFFAOYSA-N Synonym: 2,3-benzofluorene,11h-benzo b fluorene,benzo b fluorene,unii-gmo75ruy0l,2,3-benzfluorene,gmo75ruy0l,11h-benzo b fluorene # PubChem CID: 9201 ChEBI: CHEBI:34566 IUPAC Name: 11H-benzo[b]fluorene SMILES: C1C2=CC=CC=C2C2=C1C=C1C=CC=CC1=C2
| PubChem CID | 9201 |
|---|---|
| CAS | 243-17-4 |
| Molecular Weight (g/mol) | 216.28 |
| ChEBI | CHEBI:34566 |
| MDL Number | MFCD00003595 |
| SMILES | C1C2=CC=CC=C2C2=C1C=C1C=CC=CC1=C2 |
| Synonym | 2,3-benzofluorene,11h-benzo b fluorene,benzo b fluorene,unii-gmo75ruy0l,2,3-benzfluorene,gmo75ruy0l,11h-benzo b fluorene # |
| IUPAC Name | 11H-benzo[b]fluorene |
| InChI Key | HAPOJKSPCGLOOD-UHFFFAOYSA-N |
| Molecular Formula | C17H12 |
4-Methyl-2-nitroaniline 98.0+%, TCI America™
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2-Methoxy-6-nitrotoluene 97.0+%, TCI America™
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CAS: 4837-88-1 Molecular Formula: C8H9NO3 Molecular Weight (g/mol): 167.16 MDL Number: MFCD00007159 InChI Key: HQCZLEAGIOIIMC-UHFFFAOYSA-N Synonym: 2-methyl-3-nitroanisole,2-methoxy-6-nitrotoluene,benzene, 1-methoxy-2-methyl-3-nitro,1-methoxy-2-methyl-3-nitro-benzene,anisole, 2-methyl-3-nitro,6-methoxy-2-nitrotoluene,1-meo-2-me-3-no2-benzene,3-nitro-2-methyl anisole,3-methoxy-2-methyl-1-nitrobenzene,2-methyl-3-nitroanisole 2-methoxy-6-nitrotoluene PubChem CID: 78554 IUPAC Name: 1-methoxy-2-methyl-3-nitrobenzene SMILES: COC1=CC=CC(=C1C)[N+]([O-])=O
| PubChem CID | 78554 |
|---|---|
| CAS | 4837-88-1 |
| Molecular Weight (g/mol) | 167.16 |
| MDL Number | MFCD00007159 |
| SMILES | COC1=CC=CC(=C1C)[N+]([O-])=O |
| Synonym | 2-methyl-3-nitroanisole,2-methoxy-6-nitrotoluene,benzene, 1-methoxy-2-methyl-3-nitro,1-methoxy-2-methyl-3-nitro-benzene,anisole, 2-methyl-3-nitro,6-methoxy-2-nitrotoluene,1-meo-2-me-3-no2-benzene,3-nitro-2-methyl anisole,3-methoxy-2-methyl-1-nitrobenzene,2-methyl-3-nitroanisole 2-methoxy-6-nitrotoluene |
| IUPAC Name | 1-methoxy-2-methyl-3-nitrobenzene |
| InChI Key | HQCZLEAGIOIIMC-UHFFFAOYSA-N |
| Molecular Formula | C8H9NO3 |
Nepafenac 98.0+%, TCI America™
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CAS: 78281-72-8 Molecular Formula: C15H14N2O2 Molecular Weight (g/mol): 254.29 MDL Number: MFCD08067732 InChI Key: QEFAQIPZVLVERP-UHFFFAOYSA-N Synonym: 2-Amino-3-benzoylbenzeneacetamide, 2-(2-Amino-3-benzoylphenyl)acetamide PubChem CID: 151075 ChEBI: CHEBI:75922 IUPAC Name: 2-(2-amino-3-benzoylphenyl)acetamide SMILES: NC(=O)CC1=CC=CC(C(=O)C2=CC=CC=C2)=C1N
| PubChem CID | 151075 |
|---|---|
| CAS | 78281-72-8 |
| Molecular Weight (g/mol) | 254.29 |
| ChEBI | CHEBI:75922 |
| MDL Number | MFCD08067732 |
| SMILES | NC(=O)CC1=CC=CC(C(=O)C2=CC=CC=C2)=C1N |
| Synonym | 2-Amino-3-benzoylbenzeneacetamide, 2-(2-Amino-3-benzoylphenyl)acetamide |
| IUPAC Name | 2-(2-amino-3-benzoylphenyl)acetamide |
| InChI Key | QEFAQIPZVLVERP-UHFFFAOYSA-N |
| Molecular Formula | C15H14N2O2 |
1,1,4,4-Tetraphenyl-1,3-butadiene 99.0+%, TCI America™
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CAS: 1450-63-1 Molecular Formula: C28H22 Molecular Weight (g/mol): 358.48 MDL Number: MFCD00004766 InChI Key: KLCLIOISYBHYDZ-UHFFFAOYSA-N Synonym: 1,1,4,4-tetraphenyl-1,3-butadiene,tetraphenylbutadiene,1,1,4,4-tetraphenylbutadiene,1,1,4,4-tetraphenylbuta-1,3-diene,1,3-butadiene, 1,1,4,4-tetraphenyl,benzene, 1,1',1,1'-1,3-butadiene-1,4-diylidene tetrakis,tetraphenyl butadiene,1,1',1,1'-1,3-butadiene-1,4-diylidene tetrabenzene,1,4,4-triphenyl-1,3-butadienyl benzene,1,4,4-tetraphenylbutadiene PubChem CID: 74060 IUPAC Name: (1,4,4-triphenylbuta-1,3-dien-1-yl)benzene SMILES: C(C=C(C1=CC=CC=C1)C1=CC=CC=C1)=C(C1=CC=CC=C1)C1=CC=CC=C1
| PubChem CID | 74060 |
|---|---|
| CAS | 1450-63-1 |
| Molecular Weight (g/mol) | 358.48 |
| MDL Number | MFCD00004766 |
| SMILES | C(C=C(C1=CC=CC=C1)C1=CC=CC=C1)=C(C1=CC=CC=C1)C1=CC=CC=C1 |
| Synonym | 1,1,4,4-tetraphenyl-1,3-butadiene,tetraphenylbutadiene,1,1,4,4-tetraphenylbutadiene,1,1,4,4-tetraphenylbuta-1,3-diene,1,3-butadiene, 1,1,4,4-tetraphenyl,benzene, 1,1',1,1'-1,3-butadiene-1,4-diylidene tetrakis,tetraphenyl butadiene,1,1',1,1'-1,3-butadiene-1,4-diylidene tetrabenzene,1,4,4-triphenyl-1,3-butadienyl benzene,1,4,4-tetraphenylbutadiene |
| IUPAC Name | (1,4,4-triphenylbuta-1,3-dien-1-yl)benzene |
| InChI Key | KLCLIOISYBHYDZ-UHFFFAOYSA-N |
| Molecular Formula | C28H22 |
2,4-Diaminoanisole Dihydrochloride 99.0+%, TCI America™
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CAS: 614-94-8 Molecular Formula: C7H12Cl2N2O Molecular Weight (g/mol): 211.086 MDL Number: MFCD00054337 InChI Key: FNGHHDCBSVSOOI-UHFFFAOYSA-N Synonym: 4-Methoxy-1,3-phenylenediamine Dihydrochloride PubChem CID: 11975 IUPAC Name: 4-methoxybenzene-1,3-diamine;dihydrochloride SMILES: COC1=C(C=C(C=C1)N)N.Cl.Cl
| PubChem CID | 11975 |
|---|---|
| CAS | 614-94-8 |
| Molecular Weight (g/mol) | 211.086 |
| MDL Number | MFCD00054337 |
| SMILES | COC1=C(C=C(C=C1)N)N.Cl.Cl |
| Synonym | 4-Methoxy-1,3-phenylenediamine Dihydrochloride |
| IUPAC Name | 4-methoxybenzene-1,3-diamine;dihydrochloride |
| InChI Key | FNGHHDCBSVSOOI-UHFFFAOYSA-N |
| Molecular Formula | C7H12Cl2N2O |
4-Chloro-1-iodo-2-nitrobenzene 98.0+%, TCI America™
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CAS: 5446-05-9 Molecular Formula: C6H3ClINO2 Molecular Weight (g/mol): 283.45 MDL Number: MFCD11226294 InChI Key: ZLQFWQOAQQBLLZ-UHFFFAOYSA-N PubChem CID: 226566 IUPAC Name: 4-chloro-1-iodo-2-nitrobenzene SMILES: C1=CC(=C(C=C1Cl)[N+](=O)[O-])I
| PubChem CID | 226566 |
|---|---|
| CAS | 5446-05-9 |
| Molecular Weight (g/mol) | 283.45 |
| MDL Number | MFCD11226294 |
| SMILES | C1=CC(=C(C=C1Cl)[N+](=O)[O-])I |
| IUPAC Name | 4-chloro-1-iodo-2-nitrobenzene |
| InChI Key | ZLQFWQOAQQBLLZ-UHFFFAOYSA-N |
| Molecular Formula | C6H3ClINO2 |
9-Aminofluorene Hydrochloride 98.0+%, TCI America™
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CAS: 5978-75-6 Molecular Formula: C13H12ClN Molecular Weight (g/mol): 217.70 MDL Number: MFCD00012536 InChI Key: SYKJOJSYQSVNOM-UHFFFAOYSA-N Synonym: 9h-fluoren-9-amine hydrochloride,9-aminofluorene hydrochloride,9h-fluoren-9-amine, hydrochloride,9-fluorenamine hydrochloride,9-aminofluorene hcl,fluorene-9-ylamine, chloride,9h-fluoren-9-amine hcl,acmc-1b10k,9-aminoflu-orene hydrochloride,9-aminofluorene monohydrochloride PubChem CID: 2724685 IUPAC Name: hydrogen 9H-fluoren-9-amine chloride SMILES: [H+].[Cl-].NC1C2=CC=CC=C2C2=CC=CC=C12
| PubChem CID | 2724685 |
|---|---|
| CAS | 5978-75-6 |
| Molecular Weight (g/mol) | 217.70 |
| MDL Number | MFCD00012536 |
| SMILES | [H+].[Cl-].NC1C2=CC=CC=C2C2=CC=CC=C12 |
| Synonym | 9h-fluoren-9-amine hydrochloride,9-aminofluorene hydrochloride,9h-fluoren-9-amine, hydrochloride,9-fluorenamine hydrochloride,9-aminofluorene hcl,fluorene-9-ylamine, chloride,9h-fluoren-9-amine hcl,acmc-1b10k,9-aminoflu-orene hydrochloride,9-aminofluorene monohydrochloride |
| IUPAC Name | hydrogen 9H-fluoren-9-amine chloride |
| InChI Key | SYKJOJSYQSVNOM-UHFFFAOYSA-N |
| Molecular Formula | C13H12ClN |
2-(4-Methoxyphenyl)-4,6-bis(trichloromethyl)-1,3,5-triazine 98.0+%, TCI America™
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CAS: 3584-23-4 Molecular Formula: C12H7Cl6N3O Molecular Weight (g/mol): 421.908 MDL Number: MFCD00521486 InChI Key: QRHHZFRCJDAUNA-UHFFFAOYSA-N Synonym: 4,6-Bis(trichloromethyl)-2-(4-methoxyphenyl)-1,3,5-triazine PubChem CID: 19163 IUPAC Name: 2-(4-methoxyphenyl)-4,6-bis(trichloromethyl)-1,3,5-triazine SMILES: COC1=CC=C(C=C1)C2=NC(=NC(=N2)C(Cl)(Cl)Cl)C(Cl)(Cl)Cl
| PubChem CID | 19163 |
|---|---|
| CAS | 3584-23-4 |
| Molecular Weight (g/mol) | 421.908 |
| MDL Number | MFCD00521486 |
| SMILES | COC1=CC=C(C=C1)C2=NC(=NC(=N2)C(Cl)(Cl)Cl)C(Cl)(Cl)Cl |
| Synonym | 4,6-Bis(trichloromethyl)-2-(4-methoxyphenyl)-1,3,5-triazine |
| IUPAC Name | 2-(4-methoxyphenyl)-4,6-bis(trichloromethyl)-1,3,5-triazine |
| InChI Key | QRHHZFRCJDAUNA-UHFFFAOYSA-N |
| Molecular Formula | C12H7Cl6N3O |
4-Fluoro-3-methoxybenzoic Acid 98.0+%, TCI America™
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CAS: 82846-18-2 Molecular Formula: C8H7FO3 Molecular Weight (g/mol): 170.139 MDL Number: MFCD00272134 InChI Key: LWGCZCMLPRMKIZ-UHFFFAOYSA-N Synonym: 3-methoxy-4-fluorobenzoic acid,4-fluoro-m-anisic acid,benzoic acid, 4-fluoro-3-methoxy,4-fluoro-3-methoxybenzoicacid,4-fluoro-3-methoxy-benzoic acid,4-fluoranyl-3-methoxy-benzoic acid,pubchem1394,acmc-209pqm,ksc495c0r,rarechem al bo 0973 PubChem CID: 598436 IUPAC Name: 4-fluoro-3-methoxybenzoic acid SMILES: COC1=C(C=CC(=C1)C(=O)O)F
| PubChem CID | 598436 |
|---|---|
| CAS | 82846-18-2 |
| Molecular Weight (g/mol) | 170.139 |
| MDL Number | MFCD00272134 |
| SMILES | COC1=C(C=CC(=C1)C(=O)O)F |
| Synonym | 3-methoxy-4-fluorobenzoic acid,4-fluoro-m-anisic acid,benzoic acid, 4-fluoro-3-methoxy,4-fluoro-3-methoxybenzoicacid,4-fluoro-3-methoxy-benzoic acid,4-fluoranyl-3-methoxy-benzoic acid,pubchem1394,acmc-209pqm,ksc495c0r,rarechem al bo 0973 |
| IUPAC Name | 4-fluoro-3-methoxybenzoic acid |
| InChI Key | LWGCZCMLPRMKIZ-UHFFFAOYSA-N |
| Molecular Formula | C8H7FO3 |
2,3-Dicyano-6-nitronaphthalene 97.0+%, TCI America™
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CAS: 184026-06-0 Molecular Formula: C12H5N3O2 Molecular Weight (g/mol): 223.19 MDL Number: MFCD00130124 InChI Key: JJSGXASWKOLCMQ-UHFFFAOYSA-N PubChem CID: 44630249 IUPAC Name: 6-nitronaphthalene-2,3-dicarbonitrile SMILES: [O-][N+](=O)C1=CC=C2C=C(C#N)C(=CC2=C1)C#N
| PubChem CID | 44630249 |
|---|---|
| CAS | 184026-06-0 |
| Molecular Weight (g/mol) | 223.19 |
| MDL Number | MFCD00130124 |
| SMILES | [O-][N+](=O)C1=CC=C2C=C(C#N)C(=CC2=C1)C#N |
| IUPAC Name | 6-nitronaphthalene-2,3-dicarbonitrile |
| InChI Key | JJSGXASWKOLCMQ-UHFFFAOYSA-N |
| Molecular Formula | C12H5N3O2 |
1-sec-Butyl-2-nitrobenzene 98.0+%, TCI America™
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CAS: 19370-34-4 Molecular Formula: C10H13NO2 Molecular Weight (g/mol): 179.219 InChI Key: GMQQDASXGTUDPJ-UHFFFAOYSA-N PubChem CID: 86858 IUPAC Name: 1-butan-2-yl-2-nitrobenzene SMILES: CCC(C)C1=CC=CC=C1[N+](=O)[O-]
| PubChem CID | 86858 |
|---|---|
| CAS | 19370-34-4 |
| Molecular Weight (g/mol) | 179.219 |
| SMILES | CCC(C)C1=CC=CC=C1[N+](=O)[O-] |
| IUPAC Name | 1-butan-2-yl-2-nitrobenzene |
| InChI Key | GMQQDASXGTUDPJ-UHFFFAOYSA-N |
| Molecular Formula | C10H13NO2 |
3-(Ethylamino)phenol Hemisulfate 98.0+%, TCI America™
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CAS: 1274892-48-6 Molecular Formula: C16H24N2O6S Molecular Weight (g/mol): 372.436 MDL Number: MFCD03093630 InChI Key: CLHKUUQJWJTXSF-UHFFFAOYSA-N PubChem CID: 44630284 IUPAC Name: 3-(ethylamino)phenol;sulfuric acid SMILES: CCNC1=CC(=CC=C1)O.CCNC1=CC(=CC=C1)O.OS(=O)(=O)O
| PubChem CID | 44630284 |
|---|---|
| CAS | 1274892-48-6 |
| Molecular Weight (g/mol) | 372.436 |
| MDL Number | MFCD03093630 |
| SMILES | CCNC1=CC(=CC=C1)O.CCNC1=CC(=CC=C1)O.OS(=O)(=O)O |
| IUPAC Name | 3-(ethylamino)phenol;sulfuric acid |
| InChI Key | CLHKUUQJWJTXSF-UHFFFAOYSA-N |
| Molecular Formula | C16H24N2O6S |