Benzenoids
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2,5-Difluorobenzyl Alcohol 98.0+%, TCI America™
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CAS: 75853-20-2 Molecular Formula: C7H6F2O Molecular Weight (g/mol): 144.121 MDL Number: MFCD00010627 InChI Key: KIKCAPPVFQLOIU-UHFFFAOYSA-N Synonym: 2,5-difluorobenzyl alcohol,2,5-difluorophenyl methanol,benzenemethanol, 2,5-difluoro,2,5-difluorobenzylalcohol,2,5-difluorophenyl methan-1-ol,pubchem4913,acmc-209p0i,rarechem al bd 0214,2,5-difluoro-phenyl-methanol PubChem CID: 522599 IUPAC Name: (2,5-difluorophenyl)methanol SMILES: C1=CC(=C(C=C1F)CO)F
| PubChem CID | 522599 |
|---|---|
| CAS | 75853-20-2 |
| Molecular Weight (g/mol) | 144.121 |
| MDL Number | MFCD00010627 |
| SMILES | C1=CC(=C(C=C1F)CO)F |
| Synonym | 2,5-difluorobenzyl alcohol,2,5-difluorophenyl methanol,benzenemethanol, 2,5-difluoro,2,5-difluorobenzylalcohol,2,5-difluorophenyl methan-1-ol,pubchem4913,acmc-209p0i,rarechem al bd 0214,2,5-difluoro-phenyl-methanol |
| IUPAC Name | (2,5-difluorophenyl)methanol |
| InChI Key | KIKCAPPVFQLOIU-UHFFFAOYSA-N |
| Molecular Formula | C7H6F2O |
4-Bromo-2-fluoroanisole 98.0+%, TCI America™
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CAS: 2357-52-0 Molecular Formula: C7H6BrFO Molecular Weight (g/mol): 205.026 MDL Number: MFCD00011710 InChI Key: DWNXGZBXFDNKOR-UHFFFAOYSA-N Synonym: 4-bromo-2-fluoroanisole,2-fluoro-4-bromoanisole,1-bromo-3-fluoro-4-methoxybenzene,benzene, 4-bromo-2-fluoro-1-methoxy,2-fluoro-4-bromo anisol,2-fluoro-4-bromo anisole,4-bromo-2-fluoro-1-methoxy-benzene,4-bromo-2-fluorophenylmethyl ether,4-brom-2-fluor-1-methoxybenzol,pubchem1971 PubChem CID: 75378 IUPAC Name: 4-bromo-2-fluoro-1-methoxybenzene SMILES: COC1=C(C=C(C=C1)Br)F
| PubChem CID | 75378 |
|---|---|
| CAS | 2357-52-0 |
| Molecular Weight (g/mol) | 205.026 |
| MDL Number | MFCD00011710 |
| SMILES | COC1=C(C=C(C=C1)Br)F |
| Synonym | 4-bromo-2-fluoroanisole,2-fluoro-4-bromoanisole,1-bromo-3-fluoro-4-methoxybenzene,benzene, 4-bromo-2-fluoro-1-methoxy,2-fluoro-4-bromo anisol,2-fluoro-4-bromo anisole,4-bromo-2-fluoro-1-methoxy-benzene,4-bromo-2-fluorophenylmethyl ether,4-brom-2-fluor-1-methoxybenzol,pubchem1971 |
| IUPAC Name | 4-bromo-2-fluoro-1-methoxybenzene |
| InChI Key | DWNXGZBXFDNKOR-UHFFFAOYSA-N |
| Molecular Formula | C7H6BrFO |
4-Bromophenylboronic Acid (contains varying amounts of Anhydride), TCI America™
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CAS: 5467-74-3 Molecular Formula: C6H6BBrO2 Molecular Weight (g/mol): 200.83 MDL Number: MFCD00002104 InChI Key: QBLFZIBJXUQVRF-UHFFFAOYSA-N Synonym: 4-bromophenyl boronic acid,4-bromobenzeneboronic acid,4-bromophenylboric acid,p-bromophenylboronic acid,p-bromophenylboric acid,p-bromobenzeneboronic acid,boronic acid, 4-bromophenyl,benzeneboronic acid, p-bromo,p-bromophenyl boronic acid,4-bromo phenyl boronic acid PubChem CID: 79599 IUPAC Name: (4-bromophenyl)boronic acid SMILES: OB(O)C1=CC=C(Br)C=C1
| PubChem CID | 79599 |
|---|---|
| CAS | 5467-74-3 |
| Molecular Weight (g/mol) | 200.83 |
| MDL Number | MFCD00002104 |
| SMILES | OB(O)C1=CC=C(Br)C=C1 |
| Synonym | 4-bromophenyl boronic acid,4-bromobenzeneboronic acid,4-bromophenylboric acid,p-bromophenylboronic acid,p-bromophenylboric acid,p-bromobenzeneboronic acid,boronic acid, 4-bromophenyl,benzeneboronic acid, p-bromo,p-bromophenyl boronic acid,4-bromo phenyl boronic acid |
| IUPAC Name | (4-bromophenyl)boronic acid |
| InChI Key | QBLFZIBJXUQVRF-UHFFFAOYSA-N |
| Molecular Formula | C6H6BBrO2 |
(4-Nitrophenyl)urea 98.0+%, TCI America™
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CAS: 556-10-5 Molecular Formula: C7H7N3O3 Molecular Weight (g/mol): 181.151 MDL Number: MFCD09040599 InChI Key: LXXTVGKSGJADFU-UHFFFAOYSA-N PubChem CID: 313520 IUPAC Name: (4-nitrophenyl)urea SMILES: C1=CC(=CC=C1NC(=O)N)[N+](=O)[O-]
| PubChem CID | 313520 |
|---|---|
| CAS | 556-10-5 |
| Molecular Weight (g/mol) | 181.151 |
| MDL Number | MFCD09040599 |
| SMILES | C1=CC(=CC=C1NC(=O)N)[N+](=O)[O-] |
| IUPAC Name | (4-nitrophenyl)urea |
| InChI Key | LXXTVGKSGJADFU-UHFFFAOYSA-N |
| Molecular Formula | C7H7N3O3 |
4-Nitrobenzyl Cyanide 98.0+%, TCI America™
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CAS: 555-21-5 Molecular Formula: C8H6N2O2 Molecular Weight (g/mol): 162.148 MDL Number: MFCD00007372 InChI Key: PXNJGLAVKOXITN-UHFFFAOYSA-N Synonym: 4-nitrophenylacetonitrile,p-nitrophenylacetonitrile,benzeneacetonitrile, 4-nitro,4-nitrobenzyl cyanide,2-4-nitrophenyl acetonitrile,p-nitrobenzyl cyanide,p-nitrobenzylcyanide,4-nitrobenzeneacetonitrile,acetonitrile, p-nitrophenyl,p-nitrophenyl acetonitrile PubChem CID: 68386 IUPAC Name: 2-(4-nitrophenyl)acetonitrile SMILES: C1=CC(=CC=C1CC#N)[N+](=O)[O-]
| PubChem CID | 68386 |
|---|---|
| CAS | 555-21-5 |
| Molecular Weight (g/mol) | 162.148 |
| MDL Number | MFCD00007372 |
| SMILES | C1=CC(=CC=C1CC#N)[N+](=O)[O-] |
| Synonym | 4-nitrophenylacetonitrile,p-nitrophenylacetonitrile,benzeneacetonitrile, 4-nitro,4-nitrobenzyl cyanide,2-4-nitrophenyl acetonitrile,p-nitrobenzyl cyanide,p-nitrobenzylcyanide,4-nitrobenzeneacetonitrile,acetonitrile, p-nitrophenyl,p-nitrophenyl acetonitrile |
| IUPAC Name | 2-(4-nitrophenyl)acetonitrile |
| InChI Key | PXNJGLAVKOXITN-UHFFFAOYSA-N |
| Molecular Formula | C8H6N2O2 |
9-Fluorenecarboxylic Acid 97.0+%, TCI America™
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CAS: 1989-33-9 Molecular Formula: C14H10O2 Molecular Weight (g/mol): 210.232 MDL Number: MFCD00001136 InChI Key: DNVJGJUGFFYUPT-UHFFFAOYSA-N Synonym: fluorene-9-carboxylic acid,9-fluorenecarboxylic acid,9-carboxyfluorene,diphenyleneacetic acid,9-fluorencarboxylic acid,rarechem aq bd 0ba1,akos auf02021,9-carboxy-9h-fluorene,enamine_003081,9-fluorenylcarboxylic acid PubChem CID: 74809 IUPAC Name: 9H-fluorene-9-carboxylic acid SMILES: C1=CC=C2C(=C1)C(C3=CC=CC=C32)C(=O)O
| PubChem CID | 74809 |
|---|---|
| CAS | 1989-33-9 |
| Molecular Weight (g/mol) | 210.232 |
| MDL Number | MFCD00001136 |
| SMILES | C1=CC=C2C(=C1)C(C3=CC=CC=C32)C(=O)O |
| Synonym | fluorene-9-carboxylic acid,9-fluorenecarboxylic acid,9-carboxyfluorene,diphenyleneacetic acid,9-fluorencarboxylic acid,rarechem aq bd 0ba1,akos auf02021,9-carboxy-9h-fluorene,enamine_003081,9-fluorenylcarboxylic acid |
| IUPAC Name | 9H-fluorene-9-carboxylic acid |
| InChI Key | DNVJGJUGFFYUPT-UHFFFAOYSA-N |
| Molecular Formula | C14H10O2 |
N2-(tert-Butoxycarbonyl)-4-fluoro-1,2-phenylenediamine 98.0+%, TCI America™
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CAS: 362670-07-3 Molecular Formula: C11H15FN2O2 Molecular Weight (g/mol): 226.25 MDL Number: MFCD07787180 InChI Key: FELBQUPQCJZQQX-UHFFFAOYSA-N Synonym: N2-Boc-4-fluoro-1,2-phenylenediamine, tert-Butyl (2-Amino-5-fluorophenyl)carbamate, (2-Amino-5-fluorophenyl)carbamic Acid tert-Butyl Ester PubChem CID: 53420357 IUPAC Name: tert-butyl N-(2-amino-5-fluorophenyl)carbamate SMILES: CC(C)(C)OC(=O)NC1=C(N)C=CC(F)=C1
| PubChem CID | 53420357 |
|---|---|
| CAS | 362670-07-3 |
| Molecular Weight (g/mol) | 226.25 |
| MDL Number | MFCD07787180 |
| SMILES | CC(C)(C)OC(=O)NC1=C(N)C=CC(F)=C1 |
| Synonym | N2-Boc-4-fluoro-1,2-phenylenediamine, tert-Butyl (2-Amino-5-fluorophenyl)carbamate, (2-Amino-5-fluorophenyl)carbamic Acid tert-Butyl Ester |
| IUPAC Name | tert-butyl N-(2-amino-5-fluorophenyl)carbamate |
| InChI Key | FELBQUPQCJZQQX-UHFFFAOYSA-N |
| Molecular Formula | C11H15FN2O2 |
2,4-Dimethoxy-1-nitrobenzene 98.0+%, TCI America™
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CAS: 4920-84-7 Molecular Formula: C8H9NO4 Molecular Weight (g/mol): 183.163 MDL Number: MFCD00024210 InChI Key: XXWIYOBCHKCWNT-UHFFFAOYSA-N Synonym: 1,3-dimethoxy-4-nitrobenzene,2,4-dimethoxynitrobenzene,2,4-dimethoxy-1-nitro-benzene,benzene, 2,4-dimethoxy-1-nitro,2,4-dimethoxylnitrobenzene,pubchem19759,acmc-209kfc,2,4dimethoxy-nitrobenzene,2,4-dimethoxy-nitrobenzene,2.4-dimethoxy-nitrobenzene PubChem CID: 78633 IUPAC Name: 2,4-dimethoxy-1-nitrobenzene SMILES: COC1=CC(=C(C=C1)[N+](=O)[O-])OC
| PubChem CID | 78633 |
|---|---|
| CAS | 4920-84-7 |
| Molecular Weight (g/mol) | 183.163 |
| MDL Number | MFCD00024210 |
| SMILES | COC1=CC(=C(C=C1)[N+](=O)[O-])OC |
| Synonym | 1,3-dimethoxy-4-nitrobenzene,2,4-dimethoxynitrobenzene,2,4-dimethoxy-1-nitro-benzene,benzene, 2,4-dimethoxy-1-nitro,2,4-dimethoxylnitrobenzene,pubchem19759,acmc-209kfc,2,4dimethoxy-nitrobenzene,2,4-dimethoxy-nitrobenzene,2.4-dimethoxy-nitrobenzene |
| IUPAC Name | 2,4-dimethoxy-1-nitrobenzene |
| InChI Key | XXWIYOBCHKCWNT-UHFFFAOYSA-N |
| Molecular Formula | C8H9NO4 |
Ethyl 4-Acetamidophenylacetate 98.0+%, TCI America™
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CAS: 13475-17-7 Molecular Formula: C12H15NO3 Molecular Weight (g/mol): 221.256 MDL Number: MFCD06797104 InChI Key: OOLUNZSKHFNSCD-UHFFFAOYSA-N Synonym: 4-Acetamidophenylacetic Acid Ethyl Ester PubChem CID: 10353455 IUPAC Name: ethyl 2-(4-acetamidophenyl)acetate SMILES: CCOC(=O)CC1=CC=C(C=C1)NC(=O)C
| PubChem CID | 10353455 |
|---|---|
| CAS | 13475-17-7 |
| Molecular Weight (g/mol) | 221.256 |
| MDL Number | MFCD06797104 |
| SMILES | CCOC(=O)CC1=CC=C(C=C1)NC(=O)C |
| Synonym | 4-Acetamidophenylacetic Acid Ethyl Ester |
| IUPAC Name | ethyl 2-(4-acetamidophenyl)acetate |
| InChI Key | OOLUNZSKHFNSCD-UHFFFAOYSA-N |
| Molecular Formula | C12H15NO3 |
4-Fluorohippuric Acid 98.0+%, TCI America™
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CAS: 366-79-0 Molecular Formula: C9H7FNO3 Molecular Weight (g/mol): 196.16 MDL Number: MFCD00462263 InChI Key: NVWXSGQHHUSSOU-UHFFFAOYSA-M Synonym: N-(4-Fluorobenzoyl)glycine, 2-(4-Fluorobenzamido)acetic Acid PubChem CID: 699341 IUPAC Name: 2-[(4-fluorophenyl)formamido]acetate SMILES: [O-]C(=O)CNC(=O)C1=CC=C(F)C=C1
| PubChem CID | 699341 |
|---|---|
| CAS | 366-79-0 |
| Molecular Weight (g/mol) | 196.16 |
| MDL Number | MFCD00462263 |
| SMILES | [O-]C(=O)CNC(=O)C1=CC=C(F)C=C1 |
| Synonym | N-(4-Fluorobenzoyl)glycine, 2-(4-Fluorobenzamido)acetic Acid |
| IUPAC Name | 2-[(4-fluorophenyl)formamido]acetate |
| InChI Key | NVWXSGQHHUSSOU-UHFFFAOYSA-M |
| Molecular Formula | C9H7FNO3 |
Dibenzo[g,p]chrysene 98.0+%, TCI America™
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CAS: 191-68-4 Molecular Formula: C26H16 Molecular Weight (g/mol): 328.414 InChI Key: GQDKQZAEQBGVBS-UHFFFAOYSA-N PubChem CID: 67449 SMILES: C1=CC=C2C(=C1)C3=CC=CC=C3C4=C2C5=CC=CC=C5C6=CC=CC=C64
| PubChem CID | 67449 |
|---|---|
| CAS | 191-68-4 |
| Molecular Weight (g/mol) | 328.414 |
| SMILES | C1=CC=C2C(=C1)C3=CC=CC=C3C4=C2C5=CC=CC=C5C6=CC=CC=C64 |
| InChI Key | GQDKQZAEQBGVBS-UHFFFAOYSA-N |
| Molecular Formula | C26H16 |
4,4'-Diethoxybiphenyl 99.0+%, TCI America™
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CAS: 7168-54-9 Molecular Formula: C16H18O2 Molecular Weight (g/mol): 242.32 MDL Number: MFCD00026801 InChI Key: WTLUUYXFCHWUJK-UHFFFAOYSA-N Synonym: 4,4′C-Biphenetol PubChem CID: 617993 IUPAC Name: 4,4'-diethoxy-1,1'-biphenyl SMILES: CCOC1=CC=C(C=C1)C1=CC=C(OCC)C=C1
| PubChem CID | 617993 |
|---|---|
| CAS | 7168-54-9 |
| Molecular Weight (g/mol) | 242.32 |
| MDL Number | MFCD00026801 |
| SMILES | CCOC1=CC=C(C=C1)C1=CC=C(OCC)C=C1 |
| Synonym | 4,4′C-Biphenetol |
| IUPAC Name | 4,4'-diethoxy-1,1'-biphenyl |
| InChI Key | WTLUUYXFCHWUJK-UHFFFAOYSA-N |
| Molecular Formula | C16H18O2 |
Ketoprofen 98.0+%, TCI America™
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CAS: 22071-15-4 Molecular Formula: C16H14O3 Molecular Weight (g/mol): 254.285 MDL Number: MFCD00055790 InChI Key: DKYWVDODHFEZIM-UHFFFAOYSA-N Synonym: ketoprofen,2-3-benzoylphenyl propanoic acid,orudis,m-benzoylhydratropic acid,2-3-benzoylphenyl propionic acid,ketoprofene,profenid,oruvail,3-benzoylhydratropic acid,alrheumat PubChem CID: 3825 ChEBI: CHEBI:6128 IUPAC Name: 2-(3-benzoylphenyl)propanoic acid SMILES: CC(C1=CC=CC(=C1)C(=O)C2=CC=CC=C2)C(=O)O
| PubChem CID | 3825 |
|---|---|
| CAS | 22071-15-4 |
| Molecular Weight (g/mol) | 254.285 |
| ChEBI | CHEBI:6128 |
| MDL Number | MFCD00055790 |
| SMILES | CC(C1=CC=CC(=C1)C(=O)C2=CC=CC=C2)C(=O)O |
| Synonym | ketoprofen,2-3-benzoylphenyl propanoic acid,orudis,m-benzoylhydratropic acid,2-3-benzoylphenyl propionic acid,ketoprofene,profenid,oruvail,3-benzoylhydratropic acid,alrheumat |
| IUPAC Name | 2-(3-benzoylphenyl)propanoic acid |
| InChI Key | DKYWVDODHFEZIM-UHFFFAOYSA-N |
| Molecular Formula | C16H14O3 |
Methyl 2-Iodobenzoate 98.0+%, TCI America™
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CAS: 610-97-9 Molecular Formula: C8H7IO2 Molecular Weight (g/mol): 262.046 MDL Number: MFCD00016351 InChI Key: BXXLTVBTDZXPTN-UHFFFAOYSA-N Synonym: 2-iodobenzoic acid methyl ester,methyl o-iodobenzoate,methyl-2-iodobenzoate,benzoic acid, 2-iodo-, methyl ester,2-iodo-benzoic acid methyl ester,methyl2-iodobenzoate,benzoic acid, o-iodo-, methyl ester,methyl 2-iodo-benzoate,pubchem10568,acmc-209mp0 PubChem CID: 69132 IUPAC Name: methyl 2-iodobenzoate SMILES: COC(=O)C1=CC=CC=C1I
| PubChem CID | 69132 |
|---|---|
| CAS | 610-97-9 |
| Molecular Weight (g/mol) | 262.046 |
| MDL Number | MFCD00016351 |
| SMILES | COC(=O)C1=CC=CC=C1I |
| Synonym | 2-iodobenzoic acid methyl ester,methyl o-iodobenzoate,methyl-2-iodobenzoate,benzoic acid, 2-iodo-, methyl ester,2-iodo-benzoic acid methyl ester,methyl2-iodobenzoate,benzoic acid, o-iodo-, methyl ester,methyl 2-iodo-benzoate,pubchem10568,acmc-209mp0 |
| IUPAC Name | methyl 2-iodobenzoate |
| InChI Key | BXXLTVBTDZXPTN-UHFFFAOYSA-N |
| Molecular Formula | C8H7IO2 |
2-(Trifluoromethyl)benzamide 98.0+%, TCI America™
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CAS: 360-64-5 Molecular Formula: C8H6F3NO Molecular Weight (g/mol): 189.14 MDL Number: MFCD00014798 InChI Key: QBAYIBZITZBSFO-UHFFFAOYSA-N Synonym: 2-trifluoromethyl benzamide,o-trifluoromethylbenzamide,o-trifluoromethyl benzamide,unii-5u8y7e6aio,2-trifluoromehtyl benzamide,benzamide, 2-trifluoromethyl,o-trifluoromethyl-benzamide,5u8y7e6aio,synquest 4848-3-12 PubChem CID: 67759 IUPAC Name: 2-(trifluoromethyl)benzamide SMILES: NC(=O)C1=CC=CC=C1C(F)(F)F
| PubChem CID | 67759 |
|---|---|
| CAS | 360-64-5 |
| Molecular Weight (g/mol) | 189.14 |
| MDL Number | MFCD00014798 |
| SMILES | NC(=O)C1=CC=CC=C1C(F)(F)F |
| Synonym | 2-trifluoromethyl benzamide,o-trifluoromethylbenzamide,o-trifluoromethyl benzamide,unii-5u8y7e6aio,2-trifluoromehtyl benzamide,benzamide, 2-trifluoromethyl,o-trifluoromethyl-benzamide,5u8y7e6aio,synquest 4848-3-12 |
| IUPAC Name | 2-(trifluoromethyl)benzamide |
| InChI Key | QBAYIBZITZBSFO-UHFFFAOYSA-N |
| Molecular Formula | C8H6F3NO |