Benzenoids
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4-Benzylphenol 98.0+%, TCI America™
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CAS: 101-53-1 Molecular Formula: C13H12O Molecular Weight (g/mol): 184.238 MDL Number: MFCD00002384 InChI Key: HJSPWKGEPDZNLK-UHFFFAOYSA-N Synonym: p-benzylphenol,fesiasept,4-hydroxydiphenylmethane,4-hydroxyditane,4-phenylmethyl phenol,phenol, 4-phenylmethyl,p-hydroxydiphenyl methane,alpha-phenyl-p-cresol,p-hydroxydiphenylmethane,4-benzyl-phenol PubChem CID: 7563 IUPAC Name: 4-benzylphenol SMILES: C1=CC=C(C=C1)CC2=CC=C(C=C2)O
| PubChem CID | 7563 |
|---|---|
| CAS | 101-53-1 |
| Molecular Weight (g/mol) | 184.238 |
| MDL Number | MFCD00002384 |
| SMILES | C1=CC=C(C=C1)CC2=CC=C(C=C2)O |
| Synonym | p-benzylphenol,fesiasept,4-hydroxydiphenylmethane,4-hydroxyditane,4-phenylmethyl phenol,phenol, 4-phenylmethyl,p-hydroxydiphenyl methane,alpha-phenyl-p-cresol,p-hydroxydiphenylmethane,4-benzyl-phenol |
| IUPAC Name | 4-benzylphenol |
| InChI Key | HJSPWKGEPDZNLK-UHFFFAOYSA-N |
| Molecular Formula | C13H12O |
(4-Fluorophenyl)thiourea 97.0+%, TCI America™
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CAS: 459-05-2 Molecular Formula: C7H7FN2S Molecular Weight (g/mol): 170.21 MDL Number: MFCD00041180 InChI Key: BRWKXKNZRVALNZ-UHFFFAOYSA-N Synonym: 1-4-fluorophenyl thiourea,1-4-fluorophenyl-2-thiourea,4-fluorophenyl thiourea,n-4-fluorophenyl thiourea,p-fluorophenylthiourea,4-fluoro-phenyl-thiourea,thiourea, 4-fluorophenyl,amino 4-fluorophenyl amino methane-1-thione,pubchem10059,acmc-1ajjb PubChem CID: 693061 IUPAC Name: (4-fluorophenyl)thiourea SMILES: NC(=S)NC1=CC=C(F)C=C1
| PubChem CID | 693061 |
|---|---|
| CAS | 459-05-2 |
| Molecular Weight (g/mol) | 170.21 |
| MDL Number | MFCD00041180 |
| SMILES | NC(=S)NC1=CC=C(F)C=C1 |
| Synonym | 1-4-fluorophenyl thiourea,1-4-fluorophenyl-2-thiourea,4-fluorophenyl thiourea,n-4-fluorophenyl thiourea,p-fluorophenylthiourea,4-fluoro-phenyl-thiourea,thiourea, 4-fluorophenyl,amino 4-fluorophenyl amino methane-1-thione,pubchem10059,acmc-1ajjb |
| IUPAC Name | (4-fluorophenyl)thiourea |
| InChI Key | BRWKXKNZRVALNZ-UHFFFAOYSA-N |
| Molecular Formula | C7H7FN2S |
3-Bromo-5-chlorobenzonitrile 98.0+%, TCI America™
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CAS: 304854-55-5 Molecular Formula: C7H3BrClN Molecular Weight (g/mol): 216.462 MDL Number: MFCD06200840 InChI Key: DRKWKPSNVQVDKZ-UHFFFAOYSA-N PubChem CID: 15965893 IUPAC Name: 3-bromo-5-chlorobenzonitrile SMILES: C1=C(C=C(C=C1Cl)Br)C#N
| PubChem CID | 15965893 |
|---|---|
| CAS | 304854-55-5 |
| Molecular Weight (g/mol) | 216.462 |
| MDL Number | MFCD06200840 |
| SMILES | C1=C(C=C(C=C1Cl)Br)C#N |
| IUPAC Name | 3-bromo-5-chlorobenzonitrile |
| InChI Key | DRKWKPSNVQVDKZ-UHFFFAOYSA-N |
| Molecular Formula | C7H3BrClN |
3-Amino-4-bromobenzotrifluoride 97.0+%, TCI America™
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CAS: 454-79-5 Molecular Formula: C7H5BrF3N Molecular Weight (g/mol): 240.023 MDL Number: MFCD00007637 InChI Key: PZDVFXUBTKPFSG-UHFFFAOYSA-N Synonym: 2-bromo-5-trifluoromethyl aniline,3-amino-4-bromobenzotrifluoride,2-bromo-5-trifluoromethyl benzenamine,2-bromo-5-trifluoromethylphenylamine,2-amino-1-bromo-4-trifluoromethylbenzene,2-amino-4-trifluoromethylbromobenzene,6-bromo-alpha,alpha,alpha-trifluoro-m-toluidine,3-amino-4-bromo trifluoromethyl benzene,benzenamine, 2-bromo-5-trifluoromethyl,4-bromo-3-aminobenzotrifluoride PubChem CID: 67989 IUPAC Name: 2-bromo-5-(trifluoromethyl)aniline SMILES: C1=CC(=C(C=C1C(F)(F)F)N)Br
| PubChem CID | 67989 |
|---|---|
| CAS | 454-79-5 |
| Molecular Weight (g/mol) | 240.023 |
| MDL Number | MFCD00007637 |
| SMILES | C1=CC(=C(C=C1C(F)(F)F)N)Br |
| Synonym | 2-bromo-5-trifluoromethyl aniline,3-amino-4-bromobenzotrifluoride,2-bromo-5-trifluoromethyl benzenamine,2-bromo-5-trifluoromethylphenylamine,2-amino-1-bromo-4-trifluoromethylbenzene,2-amino-4-trifluoromethylbromobenzene,6-bromo-alpha,alpha,alpha-trifluoro-m-toluidine,3-amino-4-bromo trifluoromethyl benzene,benzenamine, 2-bromo-5-trifluoromethyl,4-bromo-3-aminobenzotrifluoride |
| IUPAC Name | 2-bromo-5-(trifluoromethyl)aniline |
| InChI Key | PZDVFXUBTKPFSG-UHFFFAOYSA-N |
| Molecular Formula | C7H5BrF3N |
Methyl 4-Methoxysalicylate 99.0+%, TCI America™
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CAS: 5446-02-6 Molecular Formula: C9H10O4 Molecular Weight (g/mol): 182.18 MDL Number: MFCD00008424 InChI Key: ZICRWXFGZCVTBZ-UHFFFAOYSA-N Synonym: methyl 4-methoxysalicylate,2-hydroxy-4-methoxy-benzoic acid methyl ester,methyl-4-methoxysalicylate,benzoic acid, 2-hydroxy-4-methoxy-, methyl ester,2-hydroxy-4-methoxybenzoic acid methyl ester,4-methoxysalicylic acid methyl ester,acmc-2097hp,methyl 2-hydroxy-p-anisate,ksc494a7p,2-methoxycarbonyl-5-methoxyphenol PubChem CID: 79523 IUPAC Name: methyl 2-hydroxy-4-methoxybenzoate SMILES: COC1=CC(=C(C=C1)C(=O)OC)O
| PubChem CID | 79523 |
|---|---|
| CAS | 5446-02-6 |
| Molecular Weight (g/mol) | 182.18 |
| MDL Number | MFCD00008424 |
| SMILES | COC1=CC(=C(C=C1)C(=O)OC)O |
| Synonym | methyl 4-methoxysalicylate,2-hydroxy-4-methoxy-benzoic acid methyl ester,methyl-4-methoxysalicylate,benzoic acid, 2-hydroxy-4-methoxy-, methyl ester,2-hydroxy-4-methoxybenzoic acid methyl ester,4-methoxysalicylic acid methyl ester,acmc-2097hp,methyl 2-hydroxy-p-anisate,ksc494a7p,2-methoxycarbonyl-5-methoxyphenol |
| IUPAC Name | methyl 2-hydroxy-4-methoxybenzoate |
| InChI Key | ZICRWXFGZCVTBZ-UHFFFAOYSA-N |
| Molecular Formula | C9H10O4 |
4-Bromobenzenethiol 97.0+%, TCI America™
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CAS: 106-53-6 Molecular Formula: C6H5BrS Molecular Weight (g/mol): 189.07 MDL Number: MFCD00004845 InChI Key: FTBCOQFMQSTCQQ-UHFFFAOYSA-N Synonym: 4-bromothiophenol,benzenethiol, 4-bromo,p-bromothiophenol,p-bromobenzenethiol,4-bromobenzene-1-thiol,4-bromo-benzenethiol,4-bromo thiophenol,p-bromophenyl thiol,benzenethiol, p-bromo,unii-p3wuo03x17 PubChem CID: 66049 IUPAC Name: 4-bromobenzenethiol SMILES: C1=CC(=CC=C1S)Br
| PubChem CID | 66049 |
|---|---|
| CAS | 106-53-6 |
| Molecular Weight (g/mol) | 189.07 |
| MDL Number | MFCD00004845 |
| SMILES | C1=CC(=CC=C1S)Br |
| Synonym | 4-bromothiophenol,benzenethiol, 4-bromo,p-bromothiophenol,p-bromobenzenethiol,4-bromobenzene-1-thiol,4-bromo-benzenethiol,4-bromo thiophenol,p-bromophenyl thiol,benzenethiol, p-bromo,unii-p3wuo03x17 |
| IUPAC Name | 4-bromobenzenethiol |
| InChI Key | FTBCOQFMQSTCQQ-UHFFFAOYSA-N |
| Molecular Formula | C6H5BrS |
4-Heptylphenol 98.0+%, TCI America™
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CAS: 1987-50-4 Molecular Formula: C13H20O Molecular Weight (g/mol): 192.302 MDL Number: MFCD00041751 InChI Key: KNDDEFBFJLKPFE-UHFFFAOYSA-N Synonym: 4-n-heptylphenol,phenol, 4-heptyl,p-heptylphenol,heptanyl-p-phenol,p-hydroxyheptylbenzene,phenol, heptyl derivs.,p-n-heptylphenol,unii-i743z35dvb,phenol, heptenylated,p-heptyl phenol PubChem CID: 16143 ChEBI: CHEBI:34438 IUPAC Name: 4-heptylphenol SMILES: CCCCCCCC1=CC=C(C=C1)O
| PubChem CID | 16143 |
|---|---|
| CAS | 1987-50-4 |
| Molecular Weight (g/mol) | 192.302 |
| ChEBI | CHEBI:34438 |
| MDL Number | MFCD00041751 |
| SMILES | CCCCCCCC1=CC=C(C=C1)O |
| Synonym | 4-n-heptylphenol,phenol, 4-heptyl,p-heptylphenol,heptanyl-p-phenol,p-hydroxyheptylbenzene,phenol, heptyl derivs.,p-n-heptylphenol,unii-i743z35dvb,phenol, heptenylated,p-heptyl phenol |
| IUPAC Name | 4-heptylphenol |
| InChI Key | KNDDEFBFJLKPFE-UHFFFAOYSA-N |
| Molecular Formula | C13H20O |
2,3-Dimethoxybenzyl Alcohol 98.0+%, TCI America™
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CAS: 5653-67-8 Molecular Formula: C9H12O3 Molecular Weight (g/mol): 168.192 MDL Number: MFCD00004612 InChI Key: CRLBBOBKCLYCJK-UHFFFAOYSA-N Synonym: 2,3-dimethoxybenzyl alcohol,2,3-dimethoxyphenyl methanol,o-veratryl alcohol,benzenemethanol, 2,3-dimethoxy,2,3-dimethoxyphenyl methan-1-ol,2,3-dimethoxybenzylalcohol,acmc-209lsx,ksc605g0n,benzenemethanol,2,3-dimethoxy,2,3-dimethoxyphenyl methanol # PubChem CID: 79738 IUPAC Name: (2,3-dimethoxyphenyl)methanol SMILES: COC1=CC=CC(=C1OC)CO
| PubChem CID | 79738 |
|---|---|
| CAS | 5653-67-8 |
| Molecular Weight (g/mol) | 168.192 |
| MDL Number | MFCD00004612 |
| SMILES | COC1=CC=CC(=C1OC)CO |
| Synonym | 2,3-dimethoxybenzyl alcohol,2,3-dimethoxyphenyl methanol,o-veratryl alcohol,benzenemethanol, 2,3-dimethoxy,2,3-dimethoxyphenyl methan-1-ol,2,3-dimethoxybenzylalcohol,acmc-209lsx,ksc605g0n,benzenemethanol,2,3-dimethoxy,2,3-dimethoxyphenyl methanol # |
| IUPAC Name | (2,3-dimethoxyphenyl)methanol |
| InChI Key | CRLBBOBKCLYCJK-UHFFFAOYSA-N |
| Molecular Formula | C9H12O3 |
cis-3-Hexen-1-yl Benzoate 98.0+%, TCI America™
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CAS: 25152-85-6 Molecular Formula: C13H16O2 Molecular Weight (g/mol): 204.269 MDL Number: MFCD00036526 InChI Key: BCOXBEHFBZOJJZ-ARJAWSKDSA-N Synonym: Benzoic Acid cis-3-Hexen-1-yl Ester PubChem CID: 5367706 IUPAC Name: [(Z)-hex-3-enyl] benzoate SMILES: CCC=CCCOC(=O)C1=CC=CC=C1
| PubChem CID | 5367706 |
|---|---|
| CAS | 25152-85-6 |
| Molecular Weight (g/mol) | 204.269 |
| MDL Number | MFCD00036526 |
| SMILES | CCC=CCCOC(=O)C1=CC=CC=C1 |
| Synonym | Benzoic Acid cis-3-Hexen-1-yl Ester |
| IUPAC Name | [(Z)-hex-3-enyl] benzoate |
| InChI Key | BCOXBEHFBZOJJZ-ARJAWSKDSA-N |
| Molecular Formula | C13H16O2 |
4-[[(9H-Fluoren-9-ylmethoxy)carbonyl]aminomethyl]benzoic Acid 98.0+%, TCI America™
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CAS: 164470-64-8 Molecular Formula: C23H19NO4 Molecular Weight (g/mol): 373.41 MDL Number: MFCD01074693 InChI Key: JRHUROPSUJVMNH-UHFFFAOYSA-N Synonym: fmoc-4-amb-oh,4-9h-fluoren-9-yl methoxy carbonyl amino methyl benzoic acid,4-9h-fluoren-9-ylmethoxycarbonylamino methyl benzoic acid,4-9h-fluoren-9-ylmethoxy carbonyl amino methyl benzoic acid,4-n-fmoc-aminomethyl-benzoic acid,4-fmoc-aminomethyl benzoicacid,4-fmoc-aminomethyl benzoic acid,fmoc-4-amb-oh fmoc-4-aminomethyl benzoic acid PubChem CID: 2756083 IUPAC Name: 4-[({[(9H-fluoren-9-yl)methoxy]carbonyl}amino)methyl]benzoic acid SMILES: OC(=O)C1=CC=C(CNC(=O)OCC2C3=CC=CC=C3C3=CC=CC=C23)C=C1
| PubChem CID | 2756083 |
|---|---|
| CAS | 164470-64-8 |
| Molecular Weight (g/mol) | 373.41 |
| MDL Number | MFCD01074693 |
| SMILES | OC(=O)C1=CC=C(CNC(=O)OCC2C3=CC=CC=C3C3=CC=CC=C23)C=C1 |
| Synonym | fmoc-4-amb-oh,4-9h-fluoren-9-yl methoxy carbonyl amino methyl benzoic acid,4-9h-fluoren-9-ylmethoxycarbonylamino methyl benzoic acid,4-9h-fluoren-9-ylmethoxy carbonyl amino methyl benzoic acid,4-n-fmoc-aminomethyl-benzoic acid,4-fmoc-aminomethyl benzoicacid,4-fmoc-aminomethyl benzoic acid,fmoc-4-amb-oh fmoc-4-aminomethyl benzoic acid |
| IUPAC Name | 4-[({[(9H-fluoren-9-yl)methoxy]carbonyl}amino)methyl]benzoic acid |
| InChI Key | JRHUROPSUJVMNH-UHFFFAOYSA-N |
| Molecular Formula | C23H19NO4 |
2-Fluoro-5-iodotoluene 98.0+%, TCI America™
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CAS: 452-68-6 Molecular Formula: C7H6FI Molecular Weight (g/mol): 236.028 MDL Number: MFCD00013710 InChI Key: DYQIYXDSKUUZRI-UHFFFAOYSA-N Synonym: 2-fluoro-5-iodotoluene,benzene, 1-fluoro-4-iodo-2-methyl,1-fluoro-4-iodo-2-methyl-benzene,pubchem1619,2-fluoro-5-iodootoluene,acmc-20a0l4,ksc493m8f,4-fluoro-3-methyl-iodobenzene,buttpark 45\01-60 PubChem CID: 521178 IUPAC Name: 1-fluoro-4-iodo-2-methylbenzene SMILES: CC1=C(C=CC(=C1)I)F
| PubChem CID | 521178 |
|---|---|
| CAS | 452-68-6 |
| Molecular Weight (g/mol) | 236.028 |
| MDL Number | MFCD00013710 |
| SMILES | CC1=C(C=CC(=C1)I)F |
| Synonym | 2-fluoro-5-iodotoluene,benzene, 1-fluoro-4-iodo-2-methyl,1-fluoro-4-iodo-2-methyl-benzene,pubchem1619,2-fluoro-5-iodootoluene,acmc-20a0l4,ksc493m8f,4-fluoro-3-methyl-iodobenzene,buttpark 45\01-60 |
| IUPAC Name | 1-fluoro-4-iodo-2-methylbenzene |
| InChI Key | DYQIYXDSKUUZRI-UHFFFAOYSA-N |
| Molecular Formula | C7H6FI |
4-Bromobenzaldehyde Diethyl Acetal 97.0+%, TCI America™
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CAS: 34421-94-8 Molecular Formula: C11H15BrO2 Molecular Weight (g/mol): 259.14 MDL Number: MFCD01863514 InChI Key: BFSNEBVTOODGHZ-UHFFFAOYSA-N Synonym: 4-bromobenzaldehyde diethyl acetal,1-bromo-4-diethoxymethyl benzene,4-bromobenzaldehydediethylacetal,benzene, 1-bromo-4-diethoxymethyl,4-bromophenyl diethoxymethane,4-bromobenzaldehyde diethylacetal,4-bromo-alpha,alpha-diethoxytoluene,pubchem5372,acmc-1aigt,4-bromobenzaldehydediethyl acetal PubChem CID: 688340 IUPAC Name: 1-bromo-4-(diethoxymethyl)benzene SMILES: CCOC(OCC)C1=CC=C(Br)C=C1
| PubChem CID | 688340 |
|---|---|
| CAS | 34421-94-8 |
| Molecular Weight (g/mol) | 259.14 |
| MDL Number | MFCD01863514 |
| SMILES | CCOC(OCC)C1=CC=C(Br)C=C1 |
| Synonym | 4-bromobenzaldehyde diethyl acetal,1-bromo-4-diethoxymethyl benzene,4-bromobenzaldehydediethylacetal,benzene, 1-bromo-4-diethoxymethyl,4-bromophenyl diethoxymethane,4-bromobenzaldehyde diethylacetal,4-bromo-alpha,alpha-diethoxytoluene,pubchem5372,acmc-1aigt,4-bromobenzaldehydediethyl acetal |
| IUPAC Name | 1-bromo-4-(diethoxymethyl)benzene |
| InChI Key | BFSNEBVTOODGHZ-UHFFFAOYSA-N |
| Molecular Formula | C11H15BrO2 |
2-Nitrobenzyl Chloride 98.0+%, TCI America™
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CAS: 612-23-7 Molecular Formula: C7H6ClNO2 Molecular Weight (g/mol): 171.58 MDL Number: MFCD00007185 InChI Key: BXCBUWKTXLWPSB-UHFFFAOYSA-N Synonym: 2-nitrobenzyl chloride,1-chloromethyl-2-nitrobenzene,o-nitrobenzyl chloride,alpha-chloro-2-nitrotoluene,benzene, 1-chloromethyl-2-nitro,2-nitrobenzylchloride,unii-hb8u484npm,alpha-chloro-o-nitrotoluene,ccris 2323,toluene, alpha-chloro-o-nitro PubChem CID: 11921 IUPAC Name: 1-(chloromethyl)-2-nitrobenzene SMILES: C1=CC=C(C(=C1)CCl)[N+](=O)[O-]
| PubChem CID | 11921 |
|---|---|
| CAS | 612-23-7 |
| Molecular Weight (g/mol) | 171.58 |
| MDL Number | MFCD00007185 |
| SMILES | C1=CC=C(C(=C1)CCl)[N+](=O)[O-] |
| Synonym | 2-nitrobenzyl chloride,1-chloromethyl-2-nitrobenzene,o-nitrobenzyl chloride,alpha-chloro-2-nitrotoluene,benzene, 1-chloromethyl-2-nitro,2-nitrobenzylchloride,unii-hb8u484npm,alpha-chloro-o-nitrotoluene,ccris 2323,toluene, alpha-chloro-o-nitro |
| IUPAC Name | 1-(chloromethyl)-2-nitrobenzene |
| InChI Key | BXCBUWKTXLWPSB-UHFFFAOYSA-N |
| Molecular Formula | C7H6ClNO2 |
Tropicamide 99.0+%, TCI America™
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CAS: 1508-75-4 Molecular Formula: C17H20N2O2 Molecular Weight (g/mol): 284.359 MDL Number: MFCD00058580 InChI Key: BGDKAVGWHJFAGW-UHFFFAOYSA-N Synonym: tropicamide,mydriacyl,mydriaticum,mydriafair,tropicacyl,minims tropicamide,bistropamide,epitromina,tropicamidum,mydrum PubChem CID: 5593 IUPAC Name: N-ethyl-3-hydroxy-2-phenyl-N-(pyridin-4-ylmethyl)propanamide SMILES: CCN(CC1=CC=NC=C1)C(=O)C(CO)C2=CC=CC=C2
| PubChem CID | 5593 |
|---|---|
| CAS | 1508-75-4 |
| Molecular Weight (g/mol) | 284.359 |
| MDL Number | MFCD00058580 |
| SMILES | CCN(CC1=CC=NC=C1)C(=O)C(CO)C2=CC=CC=C2 |
| Synonym | tropicamide,mydriacyl,mydriaticum,mydriafair,tropicacyl,minims tropicamide,bistropamide,epitromina,tropicamidum,mydrum |
| IUPAC Name | N-ethyl-3-hydroxy-2-phenyl-N-(pyridin-4-ylmethyl)propanamide |
| InChI Key | BGDKAVGWHJFAGW-UHFFFAOYSA-N |
| Molecular Formula | C17H20N2O2 |
6-Acetyl-1-bromo-2-methoxynaphthalene 98.0+%, TCI America™
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CAS: 84167-74-8 Molecular Formula: C13H11BrO2 Molecular Weight (g/mol): 279.133 MDL Number: MFCD00100832 InChI Key: KDDYYAXVVDTNND-UHFFFAOYSA-N Synonym: 5′C-Bromo-6′C-methoxy-2′C-acetonaphthone PubChem CID: 622178 IUPAC Name: 1-(5-bromo-6-methoxynaphthalen-2-yl)ethanone SMILES: CC(=O)C1=CC2=C(C=C1)C(=C(C=C2)OC)Br
| PubChem CID | 622178 |
|---|---|
| CAS | 84167-74-8 |
| Molecular Weight (g/mol) | 279.133 |
| MDL Number | MFCD00100832 |
| SMILES | CC(=O)C1=CC2=C(C=C1)C(=C(C=C2)OC)Br |
| Synonym | 5′C-Bromo-6′C-methoxy-2′C-acetonaphthone |
| IUPAC Name | 1-(5-bromo-6-methoxynaphthalen-2-yl)ethanone |
| InChI Key | KDDYYAXVVDTNND-UHFFFAOYSA-N |
| Molecular Formula | C13H11BrO2 |