Benzenoids
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1,2-Dihydroxyindan 98.0+%, TCI America™
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CAS: 4370-02-9 Molecular Formula: C9H10O2 Molecular Weight (g/mol): 150.18 InChI Key: YKXXBEOXRPZVCC-UHFFFAOYNA-N Synonym: 1,2-Indandiol PubChem CID: 521197 IUPAC Name: 2,3-dihydro-1H-indene-1,2-diol SMILES: C1C(C(C2=CC=CC=C21)O)O
| PubChem CID | 521197 |
|---|---|
| CAS | 4370-02-9 |
| Molecular Weight (g/mol) | 150.18 |
| SMILES | C1C(C(C2=CC=CC=C21)O)O |
| Synonym | 1,2-Indandiol |
| IUPAC Name | 2,3-dihydro-1H-indene-1,2-diol |
| InChI Key | YKXXBEOXRPZVCC-UHFFFAOYNA-N |
| Molecular Formula | C9H10O2 |
N-(4-Fluorobenzylidene)aniline 98.0+%, TCI America™
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CAS: 5676-81-3 Molecular Formula: C13H10FN Molecular Weight (g/mol): 199.228 MDL Number: MFCD00017971 InChI Key: MPRONVWLCPZXOB-UHFFFAOYSA-N Synonym: n-4-fluorobenzylidene aniline,4-fluorobenzylideneaniline,1-4-fluorophenyl-n-phenylmethanimine,benzenamine, n-4-fluorophenyl methylene-, e,p-fluorobenzylideneaniline,acmc-20m5v4,ambscpod_02/0603,4-fluorophenyl methylenebenzenamine,e-n-4-fluorobenzylidene aniline,n-e-4-fluorobenzylidene aniline PubChem CID: 918392 IUPAC Name: 1-(4-fluorophenyl)-N-phenylmethanimine SMILES: C1=CC=C(C=C1)N=CC2=CC=C(C=C2)F
| PubChem CID | 918392 |
|---|---|
| CAS | 5676-81-3 |
| Molecular Weight (g/mol) | 199.228 |
| MDL Number | MFCD00017971 |
| SMILES | C1=CC=C(C=C1)N=CC2=CC=C(C=C2)F |
| Synonym | n-4-fluorobenzylidene aniline,4-fluorobenzylideneaniline,1-4-fluorophenyl-n-phenylmethanimine,benzenamine, n-4-fluorophenyl methylene-, e,p-fluorobenzylideneaniline,acmc-20m5v4,ambscpod_02/0603,4-fluorophenyl methylenebenzenamine,e-n-4-fluorobenzylidene aniline,n-e-4-fluorobenzylidene aniline |
| IUPAC Name | 1-(4-fluorophenyl)-N-phenylmethanimine |
| InChI Key | MPRONVWLCPZXOB-UHFFFAOYSA-N |
| Molecular Formula | C13H10FN |
5-Acetonyl-2-methoxybenzenesulfonamide 98.0+%, TCI America™
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CAS: 116091-63-5 Molecular Formula: C10H13NO4S Molecular Weight (g/mol): 243.28 MDL Number: MFCD07782136 InChI Key: MQQJFLHZXQRKKJ-UHFFFAOYSA-N Synonym: 2-Methoxy-5-(2-oxopropyl)benzenesulfonamide PubChem CID: 14179759 IUPAC Name: 2-methoxy-5-(2-oxopropyl)benzene-1-sulfonamide SMILES: COC1=C(C=C(CC(C)=O)C=C1)S(N)(=O)=O
| PubChem CID | 14179759 |
|---|---|
| CAS | 116091-63-5 |
| Molecular Weight (g/mol) | 243.28 |
| MDL Number | MFCD07782136 |
| SMILES | COC1=C(C=C(CC(C)=O)C=C1)S(N)(=O)=O |
| Synonym | 2-Methoxy-5-(2-oxopropyl)benzenesulfonamide |
| IUPAC Name | 2-methoxy-5-(2-oxopropyl)benzene-1-sulfonamide |
| InChI Key | MQQJFLHZXQRKKJ-UHFFFAOYSA-N |
| Molecular Formula | C10H13NO4S |
11H-Benzo[a]fluoren-11-one 98.0+%, TCI America™
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CAS: 479-79-8 Molecular Formula: C17H10O Molecular Weight (g/mol): 230.266 MDL Number: MFCD00215959 InChI Key: RNICURKFVSAHLQ-UHFFFAOYSA-N PubChem CID: 10184 IUPAC Name: benzo[a]fluoren-11-one SMILES: C1=CC=C2C(=C1)C=CC3=C2C(=O)C4=CC=CC=C34
| PubChem CID | 10184 |
|---|---|
| CAS | 479-79-8 |
| Molecular Weight (g/mol) | 230.266 |
| MDL Number | MFCD00215959 |
| SMILES | C1=CC=C2C(=C1)C=CC3=C2C(=O)C4=CC=CC=C34 |
| IUPAC Name | benzo[a]fluoren-11-one |
| InChI Key | RNICURKFVSAHLQ-UHFFFAOYSA-N |
| Molecular Formula | C17H10O |
2-Hydroxy-5-methylbenzophenone 97.0+%, TCI America™
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CAS: 1470-57-1 Molecular Formula: C14H12O2 Molecular Weight (g/mol): 212.248 MDL Number: MFCD00002379 InChI Key: OQERFUGURPLBQH-UHFFFAOYSA-N Synonym: 2-hydroxy-5-methylbenzophenone,2-benzoyl-4-methylphenol,2-hydroxy-5-methylphenyl phenyl methanone,unii-85w615bmp7,methanone, 2-hydroxy-5-methylphenyl phenyl,2-hydroxy-5-methyl-benzophenone,2-hydroxy-5-methylphenyl-phenylmethanone,acmc-209cy0,dsstox_cid_27857,dsstox_rid_82610 PubChem CID: 73851 IUPAC Name: (2-hydroxy-5-methylphenyl)-phenylmethanone SMILES: CC1=CC(=C(C=C1)O)C(=O)C2=CC=CC=C2
| PubChem CID | 73851 |
|---|---|
| CAS | 1470-57-1 |
| Molecular Weight (g/mol) | 212.248 |
| MDL Number | MFCD00002379 |
| SMILES | CC1=CC(=C(C=C1)O)C(=O)C2=CC=CC=C2 |
| Synonym | 2-hydroxy-5-methylbenzophenone,2-benzoyl-4-methylphenol,2-hydroxy-5-methylphenyl phenyl methanone,unii-85w615bmp7,methanone, 2-hydroxy-5-methylphenyl phenyl,2-hydroxy-5-methyl-benzophenone,2-hydroxy-5-methylphenyl-phenylmethanone,acmc-209cy0,dsstox_cid_27857,dsstox_rid_82610 |
| IUPAC Name | (2-hydroxy-5-methylphenyl)-phenylmethanone |
| InChI Key | OQERFUGURPLBQH-UHFFFAOYSA-N |
| Molecular Formula | C14H12O2 |
1-Bromo-2-nitrobenzene 99.0+%, TCI America™
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CAS: 577-19-5 Molecular Formula: C6H4BrNO2 Molecular Weight (g/mol): 202.007 MDL Number: MFCD00007045 InChI Key: ORPVVAKYSXQCJI-UHFFFAOYSA-N Synonym: 2-bromonitrobenzene,o-bromonitrobenzene,o-nitrobromobenzene,2-nitrobromobenzene,benzene, 1-bromo-2-nitro,o-nitrophenyl bromide,2-bromo-1-nitrobenzene,1-bromo-2-nitro-benzene,2-bromo nitrobenzene,benzene, bromonitro PubChem CID: 11341 IUPAC Name: 1-bromo-2-nitrobenzene SMILES: C1=CC=C(C(=C1)[N+](=O)[O-])Br
| PubChem CID | 11341 |
|---|---|
| CAS | 577-19-5 |
| Molecular Weight (g/mol) | 202.007 |
| MDL Number | MFCD00007045 |
| SMILES | C1=CC=C(C(=C1)[N+](=O)[O-])Br |
| Synonym | 2-bromonitrobenzene,o-bromonitrobenzene,o-nitrobromobenzene,2-nitrobromobenzene,benzene, 1-bromo-2-nitro,o-nitrophenyl bromide,2-bromo-1-nitrobenzene,1-bromo-2-nitro-benzene,2-bromo nitrobenzene,benzene, bromonitro |
| IUPAC Name | 1-bromo-2-nitrobenzene |
| InChI Key | ORPVVAKYSXQCJI-UHFFFAOYSA-N |
| Molecular Formula | C6H4BrNO2 |
N-(2,4-Dinitrophenyl)-DL-threonine 99.0+%, TCI America™
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CAS: 14401-07-1 Molecular Formula: C10H11N3O7 Molecular Weight (g/mol): 285.212 MDL Number: MFCD00070530 InChI Key: PWOCOTZWYFGDMO-UHFFFAOYSA-N Synonym: N-Dnp-DL-threonine, Dnp-DL-Thr-OH PubChem CID: 262558 IUPAC Name: 2-(2,4-dinitroanilino)-3-hydroxybutanoic acid SMILES: CC(C(C(=O)O)NC1=C(C=C(C=C1)[N+](=O)[O-])[N+](=O)[O-])O
| PubChem CID | 262558 |
|---|---|
| CAS | 14401-07-1 |
| Molecular Weight (g/mol) | 285.212 |
| MDL Number | MFCD00070530 |
| SMILES | CC(C(C(=O)O)NC1=C(C=C(C=C1)[N+](=O)[O-])[N+](=O)[O-])O |
| Synonym | N-Dnp-DL-threonine, Dnp-DL-Thr-OH |
| IUPAC Name | 2-(2,4-dinitroanilino)-3-hydroxybutanoic acid |
| InChI Key | PWOCOTZWYFGDMO-UHFFFAOYSA-N |
| Molecular Formula | C10H11N3O7 |
3-Bromo-5-(trifluoromethyl)benzaldehyde 98.0+%, TCI America™
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CAS: 477535-41-4 Molecular Formula: C8H4BrF3O Molecular Weight (g/mol): 253.02 MDL Number: MFCD08059506 InChI Key: PCRLZGCXLNNMFL-UHFFFAOYSA-N Synonym: 3-bromo-5-trifluoromethyl benzaldehyde,benzaldehyde, 3-bromo-5-trifluoromethyl,3-trifluoromethyl-5-bromobenzaldehyde,3-bromo-5-trifluoromethyl-benzaldehyde,pubchem16131,acmc-209kad,ksc496e1r,3-bromo-5-formylbenzotrifluoride,5-bromo-3-trifluoromethyl benzaldehyde PubChem CID: 16115438 IUPAC Name: 3-bromo-5-(trifluoromethyl)benzaldehyde SMILES: FC(F)(F)C1=CC(Br)=CC(C=O)=C1
| PubChem CID | 16115438 |
|---|---|
| CAS | 477535-41-4 |
| Molecular Weight (g/mol) | 253.02 |
| MDL Number | MFCD08059506 |
| SMILES | FC(F)(F)C1=CC(Br)=CC(C=O)=C1 |
| Synonym | 3-bromo-5-trifluoromethyl benzaldehyde,benzaldehyde, 3-bromo-5-trifluoromethyl,3-trifluoromethyl-5-bromobenzaldehyde,3-bromo-5-trifluoromethyl-benzaldehyde,pubchem16131,acmc-209kad,ksc496e1r,3-bromo-5-formylbenzotrifluoride,5-bromo-3-trifluoromethyl benzaldehyde |
| IUPAC Name | 3-bromo-5-(trifluoromethyl)benzaldehyde |
| InChI Key | PCRLZGCXLNNMFL-UHFFFAOYSA-N |
| Molecular Formula | C8H4BrF3O |
4-Hydroxybenzonitrile 98.0+%, TCI America™
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CAS: 767-00-0 Molecular Formula: C7H5NO Molecular Weight (g/mol): 119.123 MDL Number: MFCD00002312 InChI Key: CVNOWLNNPYYEOH-UHFFFAOYSA-N Synonym: 4-cyanophenol,p-hydroxybenzonitrile,p-cyanophenol,benzonitrile, 4-hydroxy,benzonitrile, p-hydroxy,4-cyano phenol,4-hydroxybenzoic acid nitrile,4-hydroxy-benzonitrile,4-hydroxy benzonitrile,4-hydroxybenzenecarbonitrile PubChem CID: 13019 ChEBI: CHEBI:38622 IUPAC Name: 4-hydroxybenzonitrile SMILES: C1=CC(=CC=C1C#N)O
| PubChem CID | 13019 |
|---|---|
| CAS | 767-00-0 |
| Molecular Weight (g/mol) | 119.123 |
| ChEBI | CHEBI:38622 |
| MDL Number | MFCD00002312 |
| SMILES | C1=CC(=CC=C1C#N)O |
| Synonym | 4-cyanophenol,p-hydroxybenzonitrile,p-cyanophenol,benzonitrile, 4-hydroxy,benzonitrile, p-hydroxy,4-cyano phenol,4-hydroxybenzoic acid nitrile,4-hydroxy-benzonitrile,4-hydroxy benzonitrile,4-hydroxybenzenecarbonitrile |
| IUPAC Name | 4-hydroxybenzonitrile |
| InChI Key | CVNOWLNNPYYEOH-UHFFFAOYSA-N |
| Molecular Formula | C7H5NO |
2,2'-Dihydroxydiphenyl Ether 98.0+%, TCI America™
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CAS: 15764-52-0 Molecular Formula: C12H10O3 Molecular Weight (g/mol): 202.209 MDL Number: MFCD00142736 InChI Key: VXHYVVAUHMGCEX-UHFFFAOYSA-N Synonym: Bis(2-hydroxyphenyl) Ether, 2-Hydroxyphenyl Ether, 2,2′C-Oxybisphenol, 2,2′C-Oxydiphenol PubChem CID: 565162 IUPAC Name: 2-(2-hydroxyphenoxy)phenol SMILES: C1=CC=C(C(=C1)O)OC2=CC=CC=C2O
| PubChem CID | 565162 |
|---|---|
| CAS | 15764-52-0 |
| Molecular Weight (g/mol) | 202.209 |
| MDL Number | MFCD00142736 |
| SMILES | C1=CC=C(C(=C1)O)OC2=CC=CC=C2O |
| Synonym | Bis(2-hydroxyphenyl) Ether, 2-Hydroxyphenyl Ether, 2,2′C-Oxybisphenol, 2,2′C-Oxydiphenol |
| IUPAC Name | 2-(2-hydroxyphenoxy)phenol |
| InChI Key | VXHYVVAUHMGCEX-UHFFFAOYSA-N |
| Molecular Formula | C12H10O3 |
2-Methyl-5-nitrobenzoic Acid 98.0+%, TCI America™
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CAS: 1975-52-6 Molecular Formula: C8H7NO4 Molecular Weight (g/mol): 181.147 MDL Number: MFCD00007371 InChI Key: DJRFJAVPROZZFL-UHFFFAOYSA-N Synonym: 2-methyl-5-nitrobenzoic acid,5-nitro-o-toluic acid,benzoic acid, 2-methyl-5-nitro,2-methyl-5-nitro-benzoic acid,5-nitro-2-methylbenzoic acid,rarechem al bo 0285,5-nitro-2-methyl benzoic acid,2-methyl-5-nitro benzoic acid,pubchem2244 PubChem CID: 519683 SMILES: CC1=C(C=C(C=C1)[N+](=O)[O-])C(=O)O
| PubChem CID | 519683 |
|---|---|
| CAS | 1975-52-6 |
| Molecular Weight (g/mol) | 181.147 |
| MDL Number | MFCD00007371 |
| SMILES | CC1=C(C=C(C=C1)[N+](=O)[O-])C(=O)O |
| Synonym | 2-methyl-5-nitrobenzoic acid,5-nitro-o-toluic acid,benzoic acid, 2-methyl-5-nitro,2-methyl-5-nitro-benzoic acid,5-nitro-2-methylbenzoic acid,rarechem al bo 0285,5-nitro-2-methyl benzoic acid,2-methyl-5-nitro benzoic acid,pubchem2244 |
| InChI Key | DJRFJAVPROZZFL-UHFFFAOYSA-N |
| Molecular Formula | C8H7NO4 |
2,4-Dichlorofluorobenzene 96.0+%, TCI America™
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CAS: 1435-48-9 Molecular Formula: C6H3Cl2F Molecular Weight (g/mol): 164.988 MDL Number: MFCD00000580 InChI Key: BDJZCCWUSOZUQG-UHFFFAOYSA-N Synonym: 1,3-dichloro-4-fluorobenzene,2,4-dichlorofluorobenzene,benzene, 2,4-dichloro-1-fluoro,dcfb,benzene,2,4-dichloro-1-fluoro,2,4-dichloro-1-fluoro-benzene,pubchem2312,acmc-209cqu,2,4-dichlorofluobenzene,1,3-dichlorofluorobenzene PubChem CID: 123112 IUPAC Name: 2,4-dichloro-1-fluorobenzene SMILES: C1=CC(=C(C=C1Cl)Cl)F
| PubChem CID | 123112 |
|---|---|
| CAS | 1435-48-9 |
| Molecular Weight (g/mol) | 164.988 |
| MDL Number | MFCD00000580 |
| SMILES | C1=CC(=C(C=C1Cl)Cl)F |
| Synonym | 1,3-dichloro-4-fluorobenzene,2,4-dichlorofluorobenzene,benzene, 2,4-dichloro-1-fluoro,dcfb,benzene,2,4-dichloro-1-fluoro,2,4-dichloro-1-fluoro-benzene,pubchem2312,acmc-209cqu,2,4-dichlorofluobenzene,1,3-dichlorofluorobenzene |
| IUPAC Name | 2,4-dichloro-1-fluorobenzene |
| InChI Key | BDJZCCWUSOZUQG-UHFFFAOYSA-N |
| Molecular Formula | C6H3Cl2F |
Ethyl p-Anisate 99.0+%, TCI America™
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CAS: 94-30-4 Molecular Formula: C10H12O3 Molecular Weight (g/mol): 180.203 MDL Number: MFCD00015151 InChI Key: FHUODBDRWMIBQP-UHFFFAOYSA-N Synonym: ethyl p-anisate,ethyl anisate,ethyl p-methoxybenzoate,p-anisic acid, ethyl ester,benzoic acid, 4-methoxy-, ethyl ester,4-methoxybenzoic acid ethyl ester,benzoic acid, p-methoxy-, ethyl ester,ethyl p-anisoate,unii-kj95h2s7nm,p-anisic acid ethyl ester PubChem CID: 60979 IUPAC Name: ethyl 4-methoxybenzoate SMILES: CCOC(=O)C1=CC=C(C=C1)OC
| PubChem CID | 60979 |
|---|---|
| CAS | 94-30-4 |
| Molecular Weight (g/mol) | 180.203 |
| MDL Number | MFCD00015151 |
| SMILES | CCOC(=O)C1=CC=C(C=C1)OC |
| Synonym | ethyl p-anisate,ethyl anisate,ethyl p-methoxybenzoate,p-anisic acid, ethyl ester,benzoic acid, 4-methoxy-, ethyl ester,4-methoxybenzoic acid ethyl ester,benzoic acid, p-methoxy-, ethyl ester,ethyl p-anisoate,unii-kj95h2s7nm,p-anisic acid ethyl ester |
| IUPAC Name | ethyl 4-methoxybenzoate |
| InChI Key | FHUODBDRWMIBQP-UHFFFAOYSA-N |
| Molecular Formula | C10H12O3 |
Bezafibrate 98.0+%, TCI America™
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CAS: 41859-67-0 Molecular Formula: C19H20ClNO4 Molecular Weight (g/mol): 361.82 MDL Number: MFCD00078970 InChI Key: IIBYAHWJQTYFKB-UHFFFAOYSA-N Synonym: bezafibrate,bezalip,cedur,bezafibrat,befizal,bezafibrato,bezafibratum,sklerofibrat,azufibrat,difaterol PubChem CID: 39042 ChEBI: CHEBI:47612 IUPAC Name: 2-(4-{2-[(4-chlorophenyl)formamido]ethyl}phenoxy)-2-methylpropanoic acid SMILES: CC(C)(OC1=CC=C(CCNC(=O)C2=CC=C(Cl)C=C2)C=C1)C(O)=O
| PubChem CID | 39042 |
|---|---|
| CAS | 41859-67-0 |
| Molecular Weight (g/mol) | 361.82 |
| ChEBI | CHEBI:47612 |
| MDL Number | MFCD00078970 |
| SMILES | CC(C)(OC1=CC=C(CCNC(=O)C2=CC=C(Cl)C=C2)C=C1)C(O)=O |
| Synonym | bezafibrate,bezalip,cedur,bezafibrat,befizal,bezafibrato,bezafibratum,sklerofibrat,azufibrat,difaterol |
| IUPAC Name | 2-(4-{2-[(4-chlorophenyl)formamido]ethyl}phenoxy)-2-methylpropanoic acid |
| InChI Key | IIBYAHWJQTYFKB-UHFFFAOYSA-N |
| Molecular Formula | C19H20ClNO4 |
Bromoterephthalic Acid 98.0+%, TCI America™
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CAS: 586-35-6 Molecular Formula: C8H5BrO4 Molecular Weight (g/mol): 245.028 MDL Number: MFCD00002403 InChI Key: QPBGNSFASPVGTP-UHFFFAOYSA-N Synonym: bromoterephthalic acid,2-bromobenzene-1,4-dicarboxylic acid,2-bromoterephthalicacid,2-bromo-terephthalic acid,2-bromo-1,4-benzenedicarboxylic acid,1,4-benzenedicarboxylic acid, 2-bromo,labotest-bb lt00454996,pubchem12798,2-bromo terephthalic acid,acmc-1aoy9 PubChem CID: 68513 IUPAC Name: 2-bromoterephthalic acid SMILES: C1=CC(=C(C=C1C(=O)O)Br)C(=O)O
| PubChem CID | 68513 |
|---|---|
| CAS | 586-35-6 |
| Molecular Weight (g/mol) | 245.028 |
| MDL Number | MFCD00002403 |
| SMILES | C1=CC(=C(C=C1C(=O)O)Br)C(=O)O |
| Synonym | bromoterephthalic acid,2-bromobenzene-1,4-dicarboxylic acid,2-bromoterephthalicacid,2-bromo-terephthalic acid,2-bromo-1,4-benzenedicarboxylic acid,1,4-benzenedicarboxylic acid, 2-bromo,labotest-bb lt00454996,pubchem12798,2-bromo terephthalic acid,acmc-1aoy9 |
| IUPAC Name | 2-bromoterephthalic acid |
| InChI Key | QPBGNSFASPVGTP-UHFFFAOYSA-N |
| Molecular Formula | C8H5BrO4 |