Benzenoids
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Dimethyl 5-Nitroisophthalate, TCI America™
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CAS: 13290-96-5 Molecular Formula: C10H9NO6 Molecular Weight (g/mol): 239.18 MDL Number: MFCD00008429 InChI Key: GGTSJKFPGKFLCZ-UHFFFAOYSA-N Synonym: dimethyl 5-nitroisophthalate,5-nitroisophthalic acid dimethyl ester,5-nitroisophthalic acid, dimethyl ester,1,3-benzenedicarboxylic acid, 5-nitro-, dimethyl ester,dimethyl 5-nitro-1,3-benzenedicarboxylate,isophthalic acid, 5-nitro-, dimethyl ester,1,3-dimethyl 5-nitrobenzene-1,3-dicarboxylate,5-nitro dimethyl isophthalate,5-nitro-1,3-benzenedicarboxylic acid dimethyl ester,1,3-benzenedicarboxylic acid, 5-nitro-, 1,3-dimethyl ester PubChem CID: 83316 IUPAC Name: 1,3-dimethyl 5-nitrobenzene-1,3-dicarboxylate SMILES: COC(=O)C1=CC(=CC(=C1)C(=O)OC)[N+]([O-])=O
| PubChem CID | 83316 |
|---|---|
| CAS | 13290-96-5 |
| Molecular Weight (g/mol) | 239.18 |
| MDL Number | MFCD00008429 |
| SMILES | COC(=O)C1=CC(=CC(=C1)C(=O)OC)[N+]([O-])=O |
| Synonym | dimethyl 5-nitroisophthalate,5-nitroisophthalic acid dimethyl ester,5-nitroisophthalic acid, dimethyl ester,1,3-benzenedicarboxylic acid, 5-nitro-, dimethyl ester,dimethyl 5-nitro-1,3-benzenedicarboxylate,isophthalic acid, 5-nitro-, dimethyl ester,1,3-dimethyl 5-nitrobenzene-1,3-dicarboxylate,5-nitro dimethyl isophthalate,5-nitro-1,3-benzenedicarboxylic acid dimethyl ester,1,3-benzenedicarboxylic acid, 5-nitro-, 1,3-dimethyl ester |
| IUPAC Name | 1,3-dimethyl 5-nitrobenzene-1,3-dicarboxylate |
| InChI Key | GGTSJKFPGKFLCZ-UHFFFAOYSA-N |
| Molecular Formula | C10H9NO6 |
1-Benzyl-1-phenylhydrazine 98.0+%, TCI America™
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CAS: 614-31-3 Molecular Formula: C13H14N2 Molecular Weight (g/mol): 198.269 MDL Number: MFCD00059186 InChI Key: SQMOOVFBFVTTGF-UHFFFAOYSA-N PubChem CID: 69192 IUPAC Name: 1-benzyl-1-phenylhydrazine SMILES: C1=CC=C(C=C1)CN(C2=CC=CC=C2)N
| PubChem CID | 69192 |
|---|---|
| CAS | 614-31-3 |
| Molecular Weight (g/mol) | 198.269 |
| MDL Number | MFCD00059186 |
| SMILES | C1=CC=C(C=C1)CN(C2=CC=CC=C2)N |
| IUPAC Name | 1-benzyl-1-phenylhydrazine |
| InChI Key | SQMOOVFBFVTTGF-UHFFFAOYSA-N |
| Molecular Formula | C13H14N2 |
3-Fluoro-4-(methoxycarbonyl)phenylboronic Acid (contains varying amounts of Anhydride), TCI America™
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| Molecular Weight (g/mol) | 197.956 |
|---|---|
| Color | White |
| Physical Form | Crystalline Powder |
| Chemical Name or Material | 3-Fluoro-4-(methoxycarbonyl)phenylboronic Acid (contains varying amounts of Anhydride) |
| SMILES | B(C1=CC(=C(C=C1)C(=O)OC)F)(O)O |
| InChI Key | YZYGXFXSMDUXJT-UHFFFAOYSA-N |
| PubChem CID | 2782818 |
| CAS | 505083-04-5 |
| MDL Number | MFCD04115665 |
| TSCA | No |
| IUPAC Name | (3-fluoro-4-methoxycarbonylphenyl)boronic acid |
| Molecular Formula | C8H8BFO4 |
| Formula Weight | 197.96 |
| Melting Point | 184°C |
p-Toluenethiol 97.0+%, TCI America™
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CAS: 106-45-6 Molecular Formula: C7H8S Molecular Weight (g/mol): 124.201 MDL Number: MFCD00004851 InChI Key: WLHCBQAPPJAULW-UHFFFAOYSA-N Synonym: p-toluenethiol,p-thiocresol,4-thiocresol,4-methylthiophenol,p-methylthiophenol,benzenethiol, 4-methyl,4-toluenethiol,p-tolyl mercaptan,p-thiolcresol,p-tolylthiol PubChem CID: 7811 IUPAC Name: 4-methylbenzenethiol SMILES: CC1=CC=C(C=C1)S
| PubChem CID | 7811 |
|---|---|
| CAS | 106-45-6 |
| Molecular Weight (g/mol) | 124.201 |
| MDL Number | MFCD00004851 |
| SMILES | CC1=CC=C(C=C1)S |
| Synonym | p-toluenethiol,p-thiocresol,4-thiocresol,4-methylthiophenol,p-methylthiophenol,benzenethiol, 4-methyl,4-toluenethiol,p-tolyl mercaptan,p-thiolcresol,p-tolylthiol |
| IUPAC Name | 4-methylbenzenethiol |
| InChI Key | WLHCBQAPPJAULW-UHFFFAOYSA-N |
| Molecular Formula | C7H8S |
3-Iodobenzoic Acid 98.0+%, TCI America™
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CAS: 618-51-9 Molecular Formula: C7H5IO2 Molecular Weight (g/mol): 248.019 MDL Number: MFCD00002496 InChI Key: KVBWBCRPWVKFQT-UHFFFAOYSA-N Synonym: m-iodobenzoic acid,benzoic acid, 3-iodo,3-iodo-benzoic acid,benzoic acid, m-iodo,3-iodobenzoicacid,3-carboxyiodobenzene,3-iodo benzoic acid,pubchem3925,acmc-209mwv,meta-carboxy iodo-benzene PubChem CID: 12060 IUPAC Name: 3-iodobenzoic acid SMILES: C1=CC(=CC(=C1)I)C(=O)O
| PubChem CID | 12060 |
|---|---|
| CAS | 618-51-9 |
| Molecular Weight (g/mol) | 248.019 |
| MDL Number | MFCD00002496 |
| SMILES | C1=CC(=CC(=C1)I)C(=O)O |
| Synonym | m-iodobenzoic acid,benzoic acid, 3-iodo,3-iodo-benzoic acid,benzoic acid, m-iodo,3-iodobenzoicacid,3-carboxyiodobenzene,3-iodo benzoic acid,pubchem3925,acmc-209mwv,meta-carboxy iodo-benzene |
| IUPAC Name | 3-iodobenzoic acid |
| InChI Key | KVBWBCRPWVKFQT-UHFFFAOYSA-N |
| Molecular Formula | C7H5IO2 |
4-Chloro-2-nitrobenzoic Acid 98.0+%, TCI America™
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CAS: 6280-88-2 Molecular Formula: C7H4ClNO4 Molecular Weight (g/mol): 201.56 MDL Number: MFCD00007214 InChI Key: JAHIPDTWWVYVRV-UHFFFAOYSA-N Synonym: 4-chloro-2-nitrobenzoic acid,2-nitro-4-chlorobenzoic acid,4-chloro-2-nitrobenzoicacid,benzoic acid, 4-chloro-2-nitro,4-chloro-2-nitro-benzoic acid,acmc-1b6vn,ksc353a2d,2-carboxy-5-chloronitrobenzene,benzoicacid, 4-chloro-2-nitro,2-nitro-4-chlorobenzoic acid anion PubChem CID: 80475 IUPAC Name: 4-chloro-2-nitrobenzoic acid SMILES: OC(=O)C1=CC=C(Cl)C=C1[N+]([O-])=O
| PubChem CID | 80475 |
|---|---|
| CAS | 6280-88-2 |
| Molecular Weight (g/mol) | 201.56 |
| MDL Number | MFCD00007214 |
| SMILES | OC(=O)C1=CC=C(Cl)C=C1[N+]([O-])=O |
| Synonym | 4-chloro-2-nitrobenzoic acid,2-nitro-4-chlorobenzoic acid,4-chloro-2-nitrobenzoicacid,benzoic acid, 4-chloro-2-nitro,4-chloro-2-nitro-benzoic acid,acmc-1b6vn,ksc353a2d,2-carboxy-5-chloronitrobenzene,benzoicacid, 4-chloro-2-nitro,2-nitro-4-chlorobenzoic acid anion |
| IUPAC Name | 4-chloro-2-nitrobenzoic acid |
| InChI Key | JAHIPDTWWVYVRV-UHFFFAOYSA-N |
| Molecular Formula | C7H4ClNO4 |
2-Iodophenylacetic Acid 97.0+%, TCI America™
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CAS: 18698-96-9 Molecular Formula: C8H7IO2 Molecular Weight (g/mol): 262.046 MDL Number: MFCD00046546 InChI Key: IUHXGZHKSYYDIL-UHFFFAOYSA-N Synonym: 2-iodophenylacetic acid,2-2-iodophenyl acetic acid,benzeneacetic acid, 2-iodo,2-iodophenyl acetic acid,o-iodophenylacetic acid,2-iodobenzeneacetic acid,2-iodophenylaceticacid,pubchem2552,acmc-209eox,maybridge1_005605 PubChem CID: 2780090 IUPAC Name: 2-(2-iodophenyl)acetic acid SMILES: C1=CC=C(C(=C1)CC(=O)O)I
| PubChem CID | 2780090 |
|---|---|
| CAS | 18698-96-9 |
| Molecular Weight (g/mol) | 262.046 |
| MDL Number | MFCD00046546 |
| SMILES | C1=CC=C(C(=C1)CC(=O)O)I |
| Synonym | 2-iodophenylacetic acid,2-2-iodophenyl acetic acid,benzeneacetic acid, 2-iodo,2-iodophenyl acetic acid,o-iodophenylacetic acid,2-iodobenzeneacetic acid,2-iodophenylaceticacid,pubchem2552,acmc-209eox,maybridge1_005605 |
| IUPAC Name | 2-(2-iodophenyl)acetic acid |
| InChI Key | IUHXGZHKSYYDIL-UHFFFAOYSA-N |
| Molecular Formula | C8H7IO2 |
3-(Bromomethyl)phenylboronic Acid (contains varying amounts of Anhydride), TCI America™
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| PubChem CID | 2773281 |
|---|---|
| CAS | 51323-43-4 |
| MDL Number | MFCD01632207 |
| Color | White-Yellow |
| Physical Form | Crystalline Powder |
| UN Number | 3261 |
| TSCA | No |
| Recommended Storage | Refrigerator |
| IUPAC Name | [3-(bromomethyl)phenyl]boronic acid |
| InChI Key | ATRFDLFMCLYROQ-UHFFFAOYSA-N |
| Molecular Formula | C7H8BBrO2 |
| Formula Weight | 214.85 |
| Melting Point | 216°C |
Diundecyl Phthalate (mixture of branched chain isomers) 98.0+%, TCI America™
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CAS: 96507-86-7 Molecular Formula: C30H50O4 Molecular Weight (g/mol): 474.726 InChI Key: LGBAGUMSAPUZPU-UHFFFAOYSA-N Synonym: Phthalic Acid Diundecyl Ester PubChem CID: 175686 IUPAC Name: bis(9-methyldecyl) benzene-1,2-dicarboxylate SMILES: CC(C)CCCCCCCCOC(=O)C1=CC=CC=C1C(=O)OCCCCCCCCC(C)C
| PubChem CID | 175686 |
|---|---|
| CAS | 96507-86-7 |
| Molecular Weight (g/mol) | 474.726 |
| SMILES | CC(C)CCCCCCCCOC(=O)C1=CC=CC=C1C(=O)OCCCCCCCCC(C)C |
| Synonym | Phthalic Acid Diundecyl Ester |
| IUPAC Name | bis(9-methyldecyl) benzene-1,2-dicarboxylate |
| InChI Key | LGBAGUMSAPUZPU-UHFFFAOYSA-N |
| Molecular Formula | C30H50O4 |
(1S,2R)-(-)-1-Amino-2-indanol 98.0+%, TCI America™
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CAS: 126456-43-7 Molecular Formula: C9H12NO Molecular Weight (g/mol): 150.20 MDL Number: MFCD00216655 InChI Key: LOPKSXMQWBYUOI-BDAKNGLRSA-O Synonym: 1s,2r-1-amino-2,3-dihydro-1h-inden-2-ol,1s,2r---cis-1-amino-2-indanol,1s,2r---1-amino-2-indanol,1s,2r-1-amino-2-indanol,1s,2r-cis-1-amino-2-indanol,cis-1s,2r-1-amino-2-indanol,1s,2r-1-amino-indan-2-ol,1s,2r---cis-1-aminoindan-2-ol,1s,2r---1-amino-2-hydroxyindan,1s, 2r-cis-1-amino-2-indanol PubChem CID: 9866743 IUPAC Name: (1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-aminium SMILES: [NH3+][C@@H]1[C@H](O)CC2=CC=CC=C12
| PubChem CID | 9866743 |
|---|---|
| CAS | 126456-43-7 |
| Molecular Weight (g/mol) | 150.20 |
| MDL Number | MFCD00216655 |
| SMILES | [NH3+][C@@H]1[C@H](O)CC2=CC=CC=C12 |
| Synonym | 1s,2r-1-amino-2,3-dihydro-1h-inden-2-ol,1s,2r---cis-1-amino-2-indanol,1s,2r---1-amino-2-indanol,1s,2r-1-amino-2-indanol,1s,2r-cis-1-amino-2-indanol,cis-1s,2r-1-amino-2-indanol,1s,2r-1-amino-indan-2-ol,1s,2r---cis-1-aminoindan-2-ol,1s,2r---1-amino-2-hydroxyindan,1s, 2r-cis-1-amino-2-indanol |
| IUPAC Name | (1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-aminium |
| InChI Key | LOPKSXMQWBYUOI-BDAKNGLRSA-O |
| Molecular Formula | C9H12NO |
4-Fluoro-2-nitroanisole 98.0+%, TCI America™
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CAS: 445-83-0 Molecular Formula: C7H6FNO3 Molecular Weight (g/mol): 171.13 MDL Number: MFCD00013375 InChI Key: FWLPYISRFBKEKV-UHFFFAOYSA-N Synonym: 4-fluoro-2-nitroanisole,4-fluoro-2-nitroanisol,benzene, 4-fluoro-1-methoxy-2-nitro,4-fluoro-1-methoxy-2-nitro-benzene,5-fluoro-2-methoxynitrobenzene,4-fluor-1-methoxy-2-nitrobenzol,pubchem1966,acmc-1amcp,4-fluoro-2-nitro-anisole,ksc235o8j PubChem CID: 565656 IUPAC Name: 4-fluoro-1-methoxy-2-nitrobenzene SMILES: COC1=C(C=C(F)C=C1)[N+]([O-])=O
| PubChem CID | 565656 |
|---|---|
| CAS | 445-83-0 |
| Molecular Weight (g/mol) | 171.13 |
| MDL Number | MFCD00013375 |
| SMILES | COC1=C(C=C(F)C=C1)[N+]([O-])=O |
| Synonym | 4-fluoro-2-nitroanisole,4-fluoro-2-nitroanisol,benzene, 4-fluoro-1-methoxy-2-nitro,4-fluoro-1-methoxy-2-nitro-benzene,5-fluoro-2-methoxynitrobenzene,4-fluor-1-methoxy-2-nitrobenzol,pubchem1966,acmc-1amcp,4-fluoro-2-nitro-anisole,ksc235o8j |
| IUPAC Name | 4-fluoro-1-methoxy-2-nitrobenzene |
| InChI Key | FWLPYISRFBKEKV-UHFFFAOYSA-N |
| Molecular Formula | C7H6FNO3 |
4-Fluorophenylacetic Acid 98.0+%, TCI America™
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CAS: 405-50-5 Molecular Formula: C8H7FO2 Molecular Weight (g/mol): 154.14 MDL Number: MFCD00004343 InChI Key: MGKPFALCNDRSQD-UHFFFAOYSA-N Synonym: 4-fluorophenylacetic acid,2-4-fluorophenyl acetic acid,p-fluorophenylacetic acid,4-fluorophenyl acetic acid,benzeneacetic acid, 4-fluoro,4-fluorobenzeneacetic acid,p-fluorophenyl acetic acid,acetic acid, p-fluorophenyl,unii-s5yjv7caz1,4-fluoro-phenyl-acetic acid PubChem CID: 9837 IUPAC Name: 2-(4-fluorophenyl)acetic acid SMILES: C1=CC(=CC=C1CC(=O)O)F
| PubChem CID | 9837 |
|---|---|
| CAS | 405-50-5 |
| Molecular Weight (g/mol) | 154.14 |
| MDL Number | MFCD00004343 |
| SMILES | C1=CC(=CC=C1CC(=O)O)F |
| Synonym | 4-fluorophenylacetic acid,2-4-fluorophenyl acetic acid,p-fluorophenylacetic acid,4-fluorophenyl acetic acid,benzeneacetic acid, 4-fluoro,4-fluorobenzeneacetic acid,p-fluorophenyl acetic acid,acetic acid, p-fluorophenyl,unii-s5yjv7caz1,4-fluoro-phenyl-acetic acid |
| IUPAC Name | 2-(4-fluorophenyl)acetic acid |
| InChI Key | MGKPFALCNDRSQD-UHFFFAOYSA-N |
| Molecular Formula | C8H7FO2 |
2-Chloro-6-methylaniline 98.0+%, TCI America™
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CAS: 87-63-8 Molecular Formula: C7H8ClN Molecular Weight (g/mol): 141.60 MDL Number: MFCD00007679 InChI Key: WFNLHDJJZSJARK-UHFFFAOYSA-N Synonym: 6-chloro-2-methylaniline,6-chloro-o-toluidine,2-amino-3-chlorotoluene,benzenamine, 2-chloro-6-methyl,3-chloro-2-aminotoluene,6-chloro-2-toluidine,2-methyl-6-chloroaniline,o-toluidine, 6-chloro,2-chloro-6-methyl-aniline,2-chloro-6-methylaninile PubChem CID: 6897 IUPAC Name: 2-chloro-6-methylaniline SMILES: CC1=CC=CC(Cl)=C1N
| PubChem CID | 6897 |
|---|---|
| CAS | 87-63-8 |
| Molecular Weight (g/mol) | 141.60 |
| MDL Number | MFCD00007679 |
| SMILES | CC1=CC=CC(Cl)=C1N |
| Synonym | 6-chloro-2-methylaniline,6-chloro-o-toluidine,2-amino-3-chlorotoluene,benzenamine, 2-chloro-6-methyl,3-chloro-2-aminotoluene,6-chloro-2-toluidine,2-methyl-6-chloroaniline,o-toluidine, 6-chloro,2-chloro-6-methyl-aniline,2-chloro-6-methylaninile |
| IUPAC Name | 2-chloro-6-methylaniline |
| InChI Key | WFNLHDJJZSJARK-UHFFFAOYSA-N |
| Molecular Formula | C7H8ClN |
Neopentyl Glycol Bis(4-aminophenyl) Ether 97.0+%, TCI America™
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CAS: 115570-52-0 Molecular Formula: C17H22N2O2 Molecular Weight (g/mol): 286.375 MDL Number: MFCD00671569 InChI Key: HPUJEBAZZTZOFL-UHFFFAOYSA-N Synonym: 2,2-Bis[(4-aminophenoxy)methyl]propane, 1,3-Bis(4-aminophenoxy)neopentane, 2,2-Dimethylpropane 1,3-Bis(4-aminophenyl) Ether PubChem CID: 14121182 IUPAC Name: 4-[3-(4-aminophenoxy)-2,2-dimethylpropoxy]aniline SMILES: CC(C)(COC1=CC=C(C=C1)N)COC2=CC=C(C=C2)N
| PubChem CID | 14121182 |
|---|---|
| CAS | 115570-52-0 |
| Molecular Weight (g/mol) | 286.375 |
| MDL Number | MFCD00671569 |
| SMILES | CC(C)(COC1=CC=C(C=C1)N)COC2=CC=C(C=C2)N |
| Synonym | 2,2-Bis[(4-aminophenoxy)methyl]propane, 1,3-Bis(4-aminophenoxy)neopentane, 2,2-Dimethylpropane 1,3-Bis(4-aminophenyl) Ether |
| IUPAC Name | 4-[3-(4-aminophenoxy)-2,2-dimethylpropoxy]aniline |
| InChI Key | HPUJEBAZZTZOFL-UHFFFAOYSA-N |
| Molecular Formula | C17H22N2O2 |
2-Bromo-5-fluoroanisole 95.0+%, TCI America™
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CAS: 450-88-4 Molecular Formula: C7H6BrFO Molecular Weight (g/mol): 205.03 MDL Number: MFCD04973752 InChI Key: KGYXKRGMSUHYCY-UHFFFAOYSA-N Synonym: 2-bromo-5-fluoroanisole,benzene, 1-bromo-4-fluoro-2-methoxy,1-bromo-4-fluoro-2-methoxy-benzene,2-methoxy-4-fluorobromobenzene,buttpark 87\07-62,pubchem4091,acmc-1ct2m,ksc494a1p,bromo-4-fluoro-2-methoxybenzene PubChem CID: 7018043 IUPAC Name: 1-bromo-4-fluoro-2-methoxybenzene SMILES: COC1=CC(F)=CC=C1Br
| PubChem CID | 7018043 |
|---|---|
| CAS | 450-88-4 |
| Molecular Weight (g/mol) | 205.03 |
| MDL Number | MFCD04973752 |
| SMILES | COC1=CC(F)=CC=C1Br |
| Synonym | 2-bromo-5-fluoroanisole,benzene, 1-bromo-4-fluoro-2-methoxy,1-bromo-4-fluoro-2-methoxy-benzene,2-methoxy-4-fluorobromobenzene,buttpark 87\07-62,pubchem4091,acmc-1ct2m,ksc494a1p,bromo-4-fluoro-2-methoxybenzene |
| IUPAC Name | 1-bromo-4-fluoro-2-methoxybenzene |
| InChI Key | KGYXKRGMSUHYCY-UHFFFAOYSA-N |
| Molecular Formula | C7H6BrFO |