Benzenoids
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alpha,alpha,alpha',alpha',4,5-Hexabromo-o-xylene 98.0+%, TCI America™
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CAS: 13209-20-6 Molecular Formula: C8H4Br6 Molecular Weight (g/mol): 579.544 MDL Number: MFCD00191445 InChI Key: QPLVNMIEWOGDBY-UHFFFAOYSA-N PubChem CID: 12186451 IUPAC Name: 1,2-dibromo-4,5-bis(dibromomethyl)benzene SMILES: C1=C(C(=CC(=C1Br)Br)C(Br)Br)C(Br)Br
| PubChem CID | 12186451 |
|---|---|
| CAS | 13209-20-6 |
| Molecular Weight (g/mol) | 579.544 |
| MDL Number | MFCD00191445 |
| SMILES | C1=C(C(=CC(=C1Br)Br)C(Br)Br)C(Br)Br |
| IUPAC Name | 1,2-dibromo-4,5-bis(dibromomethyl)benzene |
| InChI Key | QPLVNMIEWOGDBY-UHFFFAOYSA-N |
| Molecular Formula | C8H4Br6 |
4-Bromo-2-chlorobenzotrifluoride 98.0+%, TCI America™
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CAS: 467435-07-0 Molecular Formula: C7H3BrClF3 Molecular Weight (g/mol): 259.45 MDL Number: MFCD08459292 InChI Key: FJANWAMBKVZTRG-UHFFFAOYSA-N Synonym: 4-Bromo-2-chloro-1-(trifluoromethyl)benzene, 4-Bromo-2-chloro-alpha,alpha,alpha-trifluorotoluene PubChem CID: 20269848 IUPAC Name: 4-bromo-2-chloro-1-(trifluoromethyl)benzene SMILES: FC(F)(F)C1=C(Cl)C=C(Br)C=C1
| PubChem CID | 20269848 |
|---|---|
| CAS | 467435-07-0 |
| Molecular Weight (g/mol) | 259.45 |
| MDL Number | MFCD08459292 |
| SMILES | FC(F)(F)C1=C(Cl)C=C(Br)C=C1 |
| Synonym | 4-Bromo-2-chloro-1-(trifluoromethyl)benzene, 4-Bromo-2-chloro-alpha,alpha,alpha-trifluorotoluene |
| IUPAC Name | 4-bromo-2-chloro-1-(trifluoromethyl)benzene |
| InChI Key | FJANWAMBKVZTRG-UHFFFAOYSA-N |
| Molecular Formula | C7H3BrClF3 |
3,4-Dimethoxyphenylacetone 97.0+%, TCI America™
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CAS: 776-99-8 Molecular Formula: C11H14O3 Molecular Weight (g/mol): 194.23 MDL Number: MFCD00008772 InChI Key: UMYZWICEDUEWIM-UHFFFAOYSA-N Synonym: 3,4-dimethoxyphenylacetone,1-3,4-dimethoxyphenyl propan-2-one,3,4-dimethoxyphenyl acetone,veratryl-2-propanone,1-3,4-dimethoxyphenyl-2-propanone,veratryl acetone,3,4-dimethoxybenzyl methyl ketone,1-3,4-dimethoxyphenyl acetone,2-propanone, 1-3,4-dimethoxyphenyl,veratryl methyl ketone PubChem CID: 69896 IUPAC Name: 1-(3,4-dimethoxyphenyl)propan-2-one SMILES: COC1=CC=C(CC(C)=O)C=C1OC
| PubChem CID | 69896 |
|---|---|
| CAS | 776-99-8 |
| Molecular Weight (g/mol) | 194.23 |
| MDL Number | MFCD00008772 |
| SMILES | COC1=CC=C(CC(C)=O)C=C1OC |
| Synonym | 3,4-dimethoxyphenylacetone,1-3,4-dimethoxyphenyl propan-2-one,3,4-dimethoxyphenyl acetone,veratryl-2-propanone,1-3,4-dimethoxyphenyl-2-propanone,veratryl acetone,3,4-dimethoxybenzyl methyl ketone,1-3,4-dimethoxyphenyl acetone,2-propanone, 1-3,4-dimethoxyphenyl,veratryl methyl ketone |
| IUPAC Name | 1-(3,4-dimethoxyphenyl)propan-2-one |
| InChI Key | UMYZWICEDUEWIM-UHFFFAOYSA-N |
| Molecular Formula | C11H14O3 |
(-)-1,4-Di-O-benzyl-L-threitol 98.0+%, TCI America™
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CAS: 17401-06-8 Molecular Formula: C18H22O4 Molecular Weight (g/mol): 302.37 MDL Number: MFCD00077723 InChI Key: YAVAVQDYJARRAU-UHFFFAOYNA-N Synonym: (-)-(2S,3S)-1,4-Bis(benzyloxy)-2,3-butanediol PubChem CID: 7018858 IUPAC Name: 1,4-bis(benzyloxy)butane-2,3-diol SMILES: OC(COCC1=CC=CC=C1)C(O)COCC1=CC=CC=C1
| PubChem CID | 7018858 |
|---|---|
| CAS | 17401-06-8 |
| Molecular Weight (g/mol) | 302.37 |
| MDL Number | MFCD00077723 |
| SMILES | OC(COCC1=CC=CC=C1)C(O)COCC1=CC=CC=C1 |
| Synonym | (-)-(2S,3S)-1,4-Bis(benzyloxy)-2,3-butanediol |
| IUPAC Name | 1,4-bis(benzyloxy)butane-2,3-diol |
| InChI Key | YAVAVQDYJARRAU-UHFFFAOYNA-N |
| Molecular Formula | C18H22O4 |
4-Amino-2-methoxybenzoic Acid 98.0+%, TCI America™
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CAS: 2486-80-8 Molecular Formula: C8H9NO3 Molecular Weight (g/mol): 167.164 MDL Number: MFCD00114479 InChI Key: OLJXRTRRJSMURJ-UHFFFAOYSA-N Synonym: 4-amino-o-anisic acid,4-amino-2-methoxy-benzoic acid,4-amino-2-methoxybenzenecarboxylic acid,2-methoxy-4-amino-benzoic acid,4-amino-2-methoxybenzoicacid,4-azanyl-2-methoxy-benzoic acid,benzoic acid, 4-amino-2-methoxy,2-methoxy-4-aminobenzoic acid,acmc-20aicb,pubchem4934 PubChem CID: 75599 IUPAC Name: 4-amino-2-methoxybenzoic acid SMILES: COC1=C(C=CC(=C1)N)C(=O)O
| PubChem CID | 75599 |
|---|---|
| CAS | 2486-80-8 |
| Molecular Weight (g/mol) | 167.164 |
| MDL Number | MFCD00114479 |
| SMILES | COC1=C(C=CC(=C1)N)C(=O)O |
| Synonym | 4-amino-o-anisic acid,4-amino-2-methoxy-benzoic acid,4-amino-2-methoxybenzenecarboxylic acid,2-methoxy-4-amino-benzoic acid,4-amino-2-methoxybenzoicacid,4-azanyl-2-methoxy-benzoic acid,benzoic acid, 4-amino-2-methoxy,2-methoxy-4-aminobenzoic acid,acmc-20aicb,pubchem4934 |
| IUPAC Name | 4-amino-2-methoxybenzoic acid |
| InChI Key | OLJXRTRRJSMURJ-UHFFFAOYSA-N |
| Molecular Formula | C8H9NO3 |
Bis(2,2,2-trifluoroethyl) Phthalate 98.0+%, TCI America™
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CAS: 62240-27-1 Molecular Formula: C12H8F6O4 Molecular Weight (g/mol): 330.18 MDL Number: MFCD00059472 InChI Key: PSRBRNHUQJKQHV-UHFFFAOYSA-N Synonym: Phthalic Acid Bis(2,2,2-trifluoroethyl) Ester PubChem CID: 615877 IUPAC Name: 1,2-bis(2,2,2-trifluoroethyl) benzene-1,2-dicarboxylate SMILES: FC(F)(F)COC(=O)C1=CC=CC=C1C(=O)OCC(F)(F)F
| PubChem CID | 615877 |
|---|---|
| CAS | 62240-27-1 |
| Molecular Weight (g/mol) | 330.18 |
| MDL Number | MFCD00059472 |
| SMILES | FC(F)(F)COC(=O)C1=CC=CC=C1C(=O)OCC(F)(F)F |
| Synonym | Phthalic Acid Bis(2,2,2-trifluoroethyl) Ester |
| IUPAC Name | 1,2-bis(2,2,2-trifluoroethyl) benzene-1,2-dicarboxylate |
| InChI Key | PSRBRNHUQJKQHV-UHFFFAOYSA-N |
| Molecular Formula | C12H8F6O4 |
5,5',6,6'-Tetrahydroxy-3,3,3',3'-tetramethyl-1,1'-spirobiindane 96.0+%, TCI America™
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CAS: 77-08-7 Molecular Formula: C21H24O4 Molecular Weight (g/mol): 340.419 MDL Number: MFCD00021235 InChI Key: POFMQEVZKZVAPQ-UHFFFAOYSA-N Synonym: 5,5',6,6'-tetrahydroxy-3,3,3',3'-tetramethyl-1,1'-spirobisindane,tts 5,5,5',6,6'-tetrahydroxy-3,3,3',3'-tetramethyl-1,1'-spirobiindan,1,1'-spirobi 1h-indene-5,5',6,6'-tetrol, 2,2',3,3'-tetrahydro-3,3,3',3'-tetramethyl,1,1'-spirobi indane-5,6-diol , 3,3,3',3'-tetramethyl,1,1,1',1'-tetramethyl-3,3'-spirobi 2h-indene-5,5',6,6'-tetrol,3,3,3',3'-tetramethyl-2h,2'h-1,1'-spirobi indene-5,5',6,6'-tetrol,3,3,3',3'-tetramethyl-2,2',3,3'-tetrahydro-1,1'-spirobi indene-5,5',6,6'-tetrol,1,6-diol , 3,3,3',3'-tetramethyl PubChem CID: 66162 IUPAC Name: 1,1,1',1'-tetramethyl-3,3'-spirobi[2H-indene]-5,5',6,6'-tetrol SMILES: CC1(CC2(CC(C3=CC(=C(C=C32)O)O)(C)C)C4=CC(=C(C=C41)O)O)C
| PubChem CID | 66162 |
|---|---|
| CAS | 77-08-7 |
| Molecular Weight (g/mol) | 340.419 |
| MDL Number | MFCD00021235 |
| SMILES | CC1(CC2(CC(C3=CC(=C(C=C32)O)O)(C)C)C4=CC(=C(C=C41)O)O)C |
| Synonym | 5,5',6,6'-tetrahydroxy-3,3,3',3'-tetramethyl-1,1'-spirobisindane,tts 5,5,5',6,6'-tetrahydroxy-3,3,3',3'-tetramethyl-1,1'-spirobiindan,1,1'-spirobi 1h-indene-5,5',6,6'-tetrol, 2,2',3,3'-tetrahydro-3,3,3',3'-tetramethyl,1,1'-spirobi indane-5,6-diol , 3,3,3',3'-tetramethyl,1,1,1',1'-tetramethyl-3,3'-spirobi 2h-indene-5,5',6,6'-tetrol,3,3,3',3'-tetramethyl-2h,2'h-1,1'-spirobi indene-5,5',6,6'-tetrol,3,3,3',3'-tetramethyl-2,2',3,3'-tetrahydro-1,1'-spirobi indene-5,5',6,6'-tetrol,1,6-diol , 3,3,3',3'-tetramethyl |
| IUPAC Name | 1,1,1',1'-tetramethyl-3,3'-spirobi[2H-indene]-5,5',6,6'-tetrol |
| InChI Key | POFMQEVZKZVAPQ-UHFFFAOYSA-N |
| Molecular Formula | C21H24O4 |
1,2-Bis(4-methylphenyl)-1,2-diphenyl-1,2-ethanediol 96.0+%, TCI America™
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CAS: 808-12-8 Molecular Formula: C28H26O2 Molecular Weight (g/mol): 394.514 MDL Number: MFCD00026012 InChI Key: YOCSNHRJFCUGEU-UHFFFAOYSA-N Synonym: 1,2-Diphenyl-1,2-di(p-tolyl)-1,2-ethanediol PubChem CID: 4612495 IUPAC Name: 1,2-bis(4-methylphenyl)-1,2-diphenylethane-1,2-diol SMILES: CC1=CC=C(C=C1)C(C2=CC=CC=C2)(C(C3=CC=CC=C3)(C4=CC=C(C=C4)C)O)O
| PubChem CID | 4612495 |
|---|---|
| CAS | 808-12-8 |
| Molecular Weight (g/mol) | 394.514 |
| MDL Number | MFCD00026012 |
| SMILES | CC1=CC=C(C=C1)C(C2=CC=CC=C2)(C(C3=CC=CC=C3)(C4=CC=C(C=C4)C)O)O |
| Synonym | 1,2-Diphenyl-1,2-di(p-tolyl)-1,2-ethanediol |
| IUPAC Name | 1,2-bis(4-methylphenyl)-1,2-diphenylethane-1,2-diol |
| InChI Key | YOCSNHRJFCUGEU-UHFFFAOYSA-N |
| Molecular Formula | C28H26O2 |
Dimethyl Nitroterephthalate 97.0+%, TCI America™
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CAS: 5292-45-5 Molecular Formula: C10H9NO6 Molecular Weight (g/mol): 239.18 MDL Number: MFCD00008422 InChI Key: PAYWCKGMOYQZAW-UHFFFAOYSA-N Synonym: dimethyl 2-nitroterephthalate,dimethyl nitroterephthalate,terephthalic acid, nitro-, dimethyl ester,unii-59qlu09dz4,1,4-benzenedicarboxylic acid, 2-nitro-, dimethyl ester,1,4-benzenedicarboxylic acid, 2-nitro-, 1,4-dimethyl ester,nitroterephthalic acid dimethyl ester,1,4-dimethyl 2-nitrobenzene-1,4-dicarboxylate,acmc-1aj3c,di-methyl nitroterephthalate PubChem CID: 21364 IUPAC Name: 1,4-dimethyl 2-nitrobenzene-1,4-dicarboxylate SMILES: COC(=O)C1=CC=C(C(=O)OC)C(=C1)[N+]([O-])=O
| PubChem CID | 21364 |
|---|---|
| CAS | 5292-45-5 |
| Molecular Weight (g/mol) | 239.18 |
| MDL Number | MFCD00008422 |
| SMILES | COC(=O)C1=CC=C(C(=O)OC)C(=C1)[N+]([O-])=O |
| Synonym | dimethyl 2-nitroterephthalate,dimethyl nitroterephthalate,terephthalic acid, nitro-, dimethyl ester,unii-59qlu09dz4,1,4-benzenedicarboxylic acid, 2-nitro-, dimethyl ester,1,4-benzenedicarboxylic acid, 2-nitro-, 1,4-dimethyl ester,nitroterephthalic acid dimethyl ester,1,4-dimethyl 2-nitrobenzene-1,4-dicarboxylate,acmc-1aj3c,di-methyl nitroterephthalate |
| IUPAC Name | 1,4-dimethyl 2-nitrobenzene-1,4-dicarboxylate |
| InChI Key | PAYWCKGMOYQZAW-UHFFFAOYSA-N |
| Molecular Formula | C10H9NO6 |
Tetraphenylphosphonium Iodide 98.0+%, TCI America™
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CAS: 2065-67-0 Molecular Formula: C24H20IP Molecular Weight (g/mol): 466.30 MDL Number: MFCD00011917 InChI Key: AEFPPQGZJFTXDR-UHFFFAOYSA-M Synonym: tetraphenylphosphonium iodide,tetraphenylphosphoniumiodide,tetraphenylphosphanium iodide,acmc-1cpca PubChem CID: 2724164 IUPAC Name: tetraphenylphosphanium iodide SMILES: [I-].C1=CC=C(C=C1)[P+](C1=CC=CC=C1)(C1=CC=CC=C1)C1=CC=CC=C1
| PubChem CID | 2724164 |
|---|---|
| CAS | 2065-67-0 |
| Molecular Weight (g/mol) | 466.30 |
| MDL Number | MFCD00011917 |
| SMILES | [I-].C1=CC=C(C=C1)[P+](C1=CC=CC=C1)(C1=CC=CC=C1)C1=CC=CC=C1 |
| Synonym | tetraphenylphosphonium iodide,tetraphenylphosphoniumiodide,tetraphenylphosphanium iodide,acmc-1cpca |
| IUPAC Name | tetraphenylphosphanium iodide |
| InChI Key | AEFPPQGZJFTXDR-UHFFFAOYSA-M |
| Molecular Formula | C24H20IP |
Ethylene Glycol Mono-m-tolyl Ether 98.0+%, TCI America™
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CAS: 13605-19-1 Molecular Formula: C9H12O2 Molecular Weight (g/mol): 152.193 MDL Number: MFCD00014035 InChI Key: FDBXUXVQIOQYIX-UHFFFAOYSA-N Synonym: 2-3-methylphenoxy ethanol,2-m-tolyloxy ethanol,ethanol, 2-3-methylphenoxy,ethylene glycol mono-m-tolyl ether,m-cresoxyethanol,2-3-tolyloxy ethanol,ethanol, 2-m-tolyloxy,2-3'-methylphenoxy ethanol,ethylene glycol m-cresyl ether,2-3-methylphenoxy ethan-1-ol PubChem CID: 83611 IUPAC Name: 2-(3-methylphenoxy)ethanol SMILES: CC1=CC(=CC=C1)OCCO
| PubChem CID | 83611 |
|---|---|
| CAS | 13605-19-1 |
| Molecular Weight (g/mol) | 152.193 |
| MDL Number | MFCD00014035 |
| SMILES | CC1=CC(=CC=C1)OCCO |
| Synonym | 2-3-methylphenoxy ethanol,2-m-tolyloxy ethanol,ethanol, 2-3-methylphenoxy,ethylene glycol mono-m-tolyl ether,m-cresoxyethanol,2-3-tolyloxy ethanol,ethanol, 2-m-tolyloxy,2-3'-methylphenoxy ethanol,ethylene glycol m-cresyl ether,2-3-methylphenoxy ethan-1-ol |
| IUPAC Name | 2-(3-methylphenoxy)ethanol |
| InChI Key | FDBXUXVQIOQYIX-UHFFFAOYSA-N |
| Molecular Formula | C9H12O2 |
2,4-Dihydroxybenzophenone 98.0+%, TCI America™
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CAS: 131-56-6 Molecular Formula: C13H10O3 Molecular Weight (g/mol): 214.22 MDL Number: MFCD00002277 InChI Key: ZXDDPOHVAMWLBH-UHFFFAOYSA-N Synonym: 2,4-dihydroxybenzophenone,2,4-dihydroxyphenyl phenyl methanone,benzophenone-1,benzoresorcinol,resbenzophenone,inhibitor dhbp,uvinul 400,advastab 48,uvistat 12,methanone, 2,4-dihydroxyphenyl phenyl PubChem CID: 8572 ChEBI: CHEBI:34240 IUPAC Name: (2,4-dihydroxyphenyl)-phenylmethanone SMILES: C1=CC=C(C=C1)C(=O)C2=C(C=C(C=C2)O)O
| PubChem CID | 8572 |
|---|---|
| CAS | 131-56-6 |
| Molecular Weight (g/mol) | 214.22 |
| ChEBI | CHEBI:34240 |
| MDL Number | MFCD00002277 |
| SMILES | C1=CC=C(C=C1)C(=O)C2=C(C=C(C=C2)O)O |
| Synonym | 2,4-dihydroxybenzophenone,2,4-dihydroxyphenyl phenyl methanone,benzophenone-1,benzoresorcinol,resbenzophenone,inhibitor dhbp,uvinul 400,advastab 48,uvistat 12,methanone, 2,4-dihydroxyphenyl phenyl |
| IUPAC Name | (2,4-dihydroxyphenyl)-phenylmethanone |
| InChI Key | ZXDDPOHVAMWLBH-UHFFFAOYSA-N |
| Molecular Formula | C13H10O3 |
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 |
3-(Trifluoromethyl)benzoyl Chloride 98.0+%, TCI America™
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CAS: 2251-65-2 Molecular Formula: C8H4ClF3O Molecular Weight (g/mol): 208.564 MDL Number: MFCD00000680 InChI Key: RUJYJCANMOTJMO-UHFFFAOYSA-N Synonym: 3-trifluoromethyl benzoyl chloride,benzoyl chloride, 3-trifluoromethyl,m-trifluoromethyl benzoyl chloride,m-trifluoromethylbenzoyl chloride,alpha,alpha,alpha-trifluoro-m-toluoyl chloride,3-trifluoromethyl benzoylchloride,3-trifluoromethyl-benzoyl chloride,alpha,alpha,alpha-trifluoro-m-tolyl chloride,pubchem5468 PubChem CID: 75257 IUPAC Name: 3-(trifluoromethyl)benzoyl chloride SMILES: C1=CC(=CC(=C1)C(F)(F)F)C(=O)Cl
| PubChem CID | 75257 |
|---|---|
| CAS | 2251-65-2 |
| Molecular Weight (g/mol) | 208.564 |
| MDL Number | MFCD00000680 |
| SMILES | C1=CC(=CC(=C1)C(F)(F)F)C(=O)Cl |
| Synonym | 3-trifluoromethyl benzoyl chloride,benzoyl chloride, 3-trifluoromethyl,m-trifluoromethyl benzoyl chloride,m-trifluoromethylbenzoyl chloride,alpha,alpha,alpha-trifluoro-m-toluoyl chloride,3-trifluoromethyl benzoylchloride,3-trifluoromethyl-benzoyl chloride,alpha,alpha,alpha-trifluoro-m-tolyl chloride,pubchem5468 |
| IUPAC Name | 3-(trifluoromethyl)benzoyl chloride |
| InChI Key | RUJYJCANMOTJMO-UHFFFAOYSA-N |
| Molecular Formula | C8H4ClF3O |
2-Bromobenzamide 98.0+%, TCI America™
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CAS: 4001-73-4 Molecular Formula: C7H6BrNO Molecular Weight (g/mol): 200.035 MDL Number: MFCD00007969 InChI Key: NHNAEZDWNCRWRW-UHFFFAOYSA-N Synonym: benzamide, 2-bromo,o-bromobenzamide,benzamide, o-bromo,2-bromo-benzamide,2-bromobenzamide,bromobenzamide,pubchem3733,maybridge1_005867,acmc-209j9x PubChem CID: 77616 IUPAC Name: 2-bromobenzamide SMILES: C1=CC=C(C(=C1)C(=O)N)Br
| PubChem CID | 77616 |
|---|---|
| CAS | 4001-73-4 |
| Molecular Weight (g/mol) | 200.035 |
| MDL Number | MFCD00007969 |
| SMILES | C1=CC=C(C(=C1)C(=O)N)Br |
| Synonym | benzamide, 2-bromo,o-bromobenzamide,benzamide, o-bromo,2-bromo-benzamide,2-bromobenzamide,bromobenzamide,pubchem3733,maybridge1_005867,acmc-209j9x |
| IUPAC Name | 2-bromobenzamide |
| InChI Key | NHNAEZDWNCRWRW-UHFFFAOYSA-N |
| Molecular Formula | C7H6BrNO |