Benzene and substituted derivatives
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2-Fluoro-5-methylaniline, 98%
CAS: 452-84-6 Molecular Formula: C7H8FN Molecular Weight (g/mol): 125.15 MDL Number: MFCD00007654 InChI Key: QZUXMXZNVAJNSE-UHFFFAOYSA-N Synonym: 3-amino-4-fluorotoluene,6-fluoro-m-toluidine,2-fluoro-5-methylphenylamine,2-fluoro-5-methylbenzenamine,benzenamine, 2-fluoro-5-methyl,2-fluoro-5-methylbenzeneamine,2-fluoro-5-methyl-aniline,pubchem1507,2-fluoro-5-metylaniline,acmc-209k1v PubChem CID: 262970 IUPAC Name: 2-fluoro-5-methylaniline SMILES: CC1=CC=C(F)C(N)=C1
| PubChem CID | 262970 |
|---|---|
| CAS | 452-84-6 |
| Molecular Weight (g/mol) | 125.15 |
| MDL Number | MFCD00007654 |
| SMILES | CC1=CC=C(F)C(N)=C1 |
| Synonym | 3-amino-4-fluorotoluene,6-fluoro-m-toluidine,2-fluoro-5-methylphenylamine,2-fluoro-5-methylbenzenamine,benzenamine, 2-fluoro-5-methyl,2-fluoro-5-methylbenzeneamine,2-fluoro-5-methyl-aniline,pubchem1507,2-fluoro-5-metylaniline,acmc-209k1v |
| IUPAC Name | 2-fluoro-5-methylaniline |
| InChI Key | QZUXMXZNVAJNSE-UHFFFAOYSA-N |
| Molecular Formula | C7H8FN |
Choline Bromide, Spectrum™ Chemical
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CAS: 1927-06-6
| CAS | 1927-06-6 |
|---|
3,4-Dichlorobenzylamine, 96%
CAS: 102-49-8 Molecular Formula: C7H7Cl2N Molecular Weight (g/mol): 176.04 MDL Number: MFCD00008114 InChI Key: IXHNFOOSLAWRBQ-UHFFFAOYSA-N Synonym: 3,4-dichlorobenzylamine,3,4-dichlorophenyl methanamine,benzenemethanamine, 3,4-dichloro,3,4-dichloro-benzylamine,benzylamine, 3,4-dichloro,3,4-dichlorophenyl methylamine,1-3,4-dichlorophenyl methanamine,3,4-dichlorophenyl methyl amine,3,4-dichlorobezylamine PubChem CID: 1608 IUPAC Name: (3,4-dichlorophenyl)methanamine SMILES: C1=CC(=C(C=C1CN)Cl)Cl
| PubChem CID | 1608 |
|---|---|
| CAS | 102-49-8 |
| Molecular Weight (g/mol) | 176.04 |
| MDL Number | MFCD00008114 |
| SMILES | C1=CC(=C(C=C1CN)Cl)Cl |
| Synonym | 3,4-dichlorobenzylamine,3,4-dichlorophenyl methanamine,benzenemethanamine, 3,4-dichloro,3,4-dichloro-benzylamine,benzylamine, 3,4-dichloro,3,4-dichlorophenyl methylamine,1-3,4-dichlorophenyl methanamine,3,4-dichlorophenyl methyl amine,3,4-dichlorobezylamine |
| IUPAC Name | (3,4-dichlorophenyl)methanamine |
| InChI Key | IXHNFOOSLAWRBQ-UHFFFAOYSA-N |
| Molecular Formula | C7H7Cl2N |
(R)-(+)-1-(3-Methoxyphenyl)ethylamine, ChiPros 99+%, ee 98%
CAS: 88196-70-7 Molecular Formula: C9H13NO Molecular Weight (g/mol): 151.209 MDL Number: MFCD00671655 InChI Key: CJWGCBRQAHCVHW-SSDOTTSWSA-N Synonym: r-1-3-methoxyphenyl ethanamine,r-1-3-methoxyphenyl ethylamine,1-r-3-methoxyphenol ethylamine,1r-1-3-methoxyphenyl ethanamine,1r-1-3-methoxyphenyl ethan-1-amine,r-+-1-3-methoxyphenyl ethylamine,phenol,3-1r-1-aminoethyl,1r-1-3-methoxyphenyl ethylamine,r-3-methoxy-alpha-methylbenzylamine,r-1 3-methoxyphenyl ethylamine PubChem CID: 7020759 IUPAC Name: (1R)-1-(3-methoxyphenyl)ethanamine SMILES: CC(C1=CC(=CC=C1)OC)N
| PubChem CID | 7020759 |
|---|---|
| CAS | 88196-70-7 |
| Molecular Weight (g/mol) | 151.209 |
| MDL Number | MFCD00671655 |
| SMILES | CC(C1=CC(=CC=C1)OC)N |
| Synonym | r-1-3-methoxyphenyl ethanamine,r-1-3-methoxyphenyl ethylamine,1-r-3-methoxyphenol ethylamine,1r-1-3-methoxyphenyl ethanamine,1r-1-3-methoxyphenyl ethan-1-amine,r-+-1-3-methoxyphenyl ethylamine,phenol,3-1r-1-aminoethyl,1r-1-3-methoxyphenyl ethylamine,r-3-methoxy-alpha-methylbenzylamine,r-1 3-methoxyphenyl ethylamine |
| IUPAC Name | (1R)-1-(3-methoxyphenyl)ethanamine |
| InChI Key | CJWGCBRQAHCVHW-SSDOTTSWSA-N |
| Molecular Formula | C9H13NO |
4-Chloro-2-methoxy-5-methylaniline, 85%, Tech., Thermo Scientific™
CAS: 6376-14-3 Molecular Formula: C8H10ClNO Molecular Weight (g/mol): 171.62 MDL Number: MFCD00007847 InChI Key: XBAPOWUMJRIKAV-UHFFFAOYSA-N Synonym: chlorocresidine,4-chloro-5-methyl-o-anisidine,o-anisidine, 4-chloro-5-methyl,4-chloro-2-methoxy-5-methylphenylamine,4-chloro-2-methoxy-5-methylanilin,2-methoxy-5-methyl-4-chloroaniline,4-chloro-2-methoxy-5-methyl-aniline,4-chloro-2-methoxy-5-methyl-phenylamine,benzenamine,4-chloro-2-methoxy-5-methyl,tech., PubChem CID: 80782 IUPAC Name: 4-chloro-2-methoxy-5-methylaniline SMILES: COC1=CC(Cl)=C(C)C=C1N
| PubChem CID | 80782 |
|---|---|
| CAS | 6376-14-3 |
| Molecular Weight (g/mol) | 171.62 |
| MDL Number | MFCD00007847 |
| SMILES | COC1=CC(Cl)=C(C)C=C1N |
| Synonym | chlorocresidine,4-chloro-5-methyl-o-anisidine,o-anisidine, 4-chloro-5-methyl,4-chloro-2-methoxy-5-methylphenylamine,4-chloro-2-methoxy-5-methylanilin,2-methoxy-5-methyl-4-chloroaniline,4-chloro-2-methoxy-5-methyl-aniline,4-chloro-2-methoxy-5-methyl-phenylamine,benzenamine,4-chloro-2-methoxy-5-methyl,tech., |
| IUPAC Name | 4-chloro-2-methoxy-5-methylaniline |
| InChI Key | XBAPOWUMJRIKAV-UHFFFAOYSA-N |
| Molecular Formula | C8H10ClNO |
1-Bromo-4-n-hexylbenzene, 97%
CAS: 23703-22-2 Molecular Formula: C12H17Br Molecular Weight (g/mol): 241.17 MDL Number: MFCD00061114 InChI Key: MXHOLIARBWJKCR-UHFFFAOYSA-N Synonym: 1-4-bromophenyl hexane,4-hexylbromobenzene,1-bromo-4-n-hexylbenzene,4-bromo-1-hexylbenzene,benzene, 1-bromo-4-hexyl,4-bromo-n-hexylbenzene,4-hexylphenyl bromide,1-bromo-4-hexyl-benzene,acmc-1cb1g,# PubChem CID: 598186 IUPAC Name: 1-bromo-4-hexylbenzene SMILES: CCCCCCC1=CC=C(Br)C=C1
| PubChem CID | 598186 |
|---|---|
| CAS | 23703-22-2 |
| Molecular Weight (g/mol) | 241.17 |
| MDL Number | MFCD00061114 |
| SMILES | CCCCCCC1=CC=C(Br)C=C1 |
| Synonym | 1-4-bromophenyl hexane,4-hexylbromobenzene,1-bromo-4-n-hexylbenzene,4-bromo-1-hexylbenzene,benzene, 1-bromo-4-hexyl,4-bromo-n-hexylbenzene,4-hexylphenyl bromide,1-bromo-4-hexyl-benzene,acmc-1cb1g,# |
| IUPAC Name | 1-bromo-4-hexylbenzene |
| InChI Key | MXHOLIARBWJKCR-UHFFFAOYSA-N |
| Molecular Formula | C12H17Br |
1,1,4,4-Tetraphenyl-1,3-butadiene, 99%
CAS: 1450-63-1 Molecular Formula: C28H22 Molecular Weight (g/mol): 358.48 MDL Number: MFCD00004766 InChI Key: KLCLIOISYBHYDZ-UHFFFAOYSA-N Synonym: 1,1,4,4-tetraphenyl-1,3-butadiene,tetraphenylbutadiene,1,1,4,4-tetraphenylbutadiene,1,1,4,4-tetraphenylbuta-1,3-diene,1,3-butadiene, 1,1,4,4-tetraphenyl,benzene, 1,1',1,1'-1,3-butadiene-1,4-diylidene tetrakis,tetraphenyl butadiene,1,1',1,1'-1,3-butadiene-1,4-diylidene tetrabenzene,1,4,4-triphenyl-1,3-butadienyl benzene,1,4,4-tetraphenylbutadiene PubChem CID: 74060 SMILES: C(C=C(C1=CC=CC=C1)C1=CC=CC=C1)=C(C1=CC=CC=C1)C1=CC=CC=C1
| PubChem CID | 74060 |
|---|---|
| CAS | 1450-63-1 |
| Molecular Weight (g/mol) | 358.48 |
| MDL Number | MFCD00004766 |
| SMILES | C(C=C(C1=CC=CC=C1)C1=CC=CC=C1)=C(C1=CC=CC=C1)C1=CC=CC=C1 |
| Synonym | 1,1,4,4-tetraphenyl-1,3-butadiene,tetraphenylbutadiene,1,1,4,4-tetraphenylbutadiene,1,1,4,4-tetraphenylbuta-1,3-diene,1,3-butadiene, 1,1,4,4-tetraphenyl,benzene, 1,1',1,1'-1,3-butadiene-1,4-diylidene tetrakis,tetraphenyl butadiene,1,1',1,1'-1,3-butadiene-1,4-diylidene tetrabenzene,1,4,4-triphenyl-1,3-butadienyl benzene,1,4,4-tetraphenylbutadiene |
| InChI Key | KLCLIOISYBHYDZ-UHFFFAOYSA-N |
| Molecular Formula | C28H22 |
3-(Cyanomethyl)benzeneboronic acid, 96%
CAS: 220616-39-7 Molecular Formula: C8H8BNO2 Molecular Weight (g/mol): 160.97 MDL Number: MFCD03788026 InChI Key: JFMYJQMAPRBDFF-UHFFFAOYSA-N Synonym: 3-cyanomethylphenylboronic acid,3-cyanomethyl phenyl boronic acid,3-cyanomethyl phenylboronic acid,3-cyanomethyl benzeneboronic acid,3-boronophenyl acetonitrile,boronic acid, 3-cyanomethyl phenyl,3-cyanomethylphenyl boronic acid,boronic acid,b-3-cyanomethyl phenyl,acmc-1cme7 PubChem CID: 2773344 IUPAC Name: [3-(cyanomethyl)phenyl]boronic acid SMILES: OB(O)C1=CC=CC(CC#N)=C1
| PubChem CID | 2773344 |
|---|---|
| CAS | 220616-39-7 |
| Molecular Weight (g/mol) | 160.97 |
| MDL Number | MFCD03788026 |
| SMILES | OB(O)C1=CC=CC(CC#N)=C1 |
| Synonym | 3-cyanomethylphenylboronic acid,3-cyanomethyl phenyl boronic acid,3-cyanomethyl phenylboronic acid,3-cyanomethyl benzeneboronic acid,3-boronophenyl acetonitrile,boronic acid, 3-cyanomethyl phenyl,3-cyanomethylphenyl boronic acid,boronic acid,b-3-cyanomethyl phenyl,acmc-1cme7 |
| IUPAC Name | [3-(cyanomethyl)phenyl]boronic acid |
| InChI Key | JFMYJQMAPRBDFF-UHFFFAOYSA-N |
| Molecular Formula | C8H8BNO2 |
2-Bromoanisole, 98%
CAS: 578-57-4 Molecular Formula: C7H7BrO Molecular Weight (g/mol): 187.036 MDL Number: MFCD00000064 InChI Key: HTDQSWDEWGSAMN-UHFFFAOYSA-N Synonym: 2-bromoanisole,o-bromoanisole,benzene, 1-bromo-2-methoxy,2-methoxybromobenzene,o-anisyl bromide,anisole, o-bromo,o-methoxybromobenzene,2-bromoanisol,o-methoxyphenyl bromide,2-methoxyphenyl bromide PubChem CID: 11358 IUPAC Name: 1-bromo-2-methoxybenzene SMILES: COC1=CC=CC=C1Br
| PubChem CID | 11358 |
|---|---|
| CAS | 578-57-4 |
| Molecular Weight (g/mol) | 187.036 |
| MDL Number | MFCD00000064 |
| SMILES | COC1=CC=CC=C1Br |
| Synonym | 2-bromoanisole,o-bromoanisole,benzene, 1-bromo-2-methoxy,2-methoxybromobenzene,o-anisyl bromide,anisole, o-bromo,o-methoxybromobenzene,2-bromoanisol,o-methoxyphenyl bromide,2-methoxyphenyl bromide |
| IUPAC Name | 1-bromo-2-methoxybenzene |
| InChI Key | HTDQSWDEWGSAMN-UHFFFAOYSA-N |
| Molecular Formula | C7H7BrO |
2,3,4,5,6-Pentafluorobenzyl bromide, 97%
CAS: 1765-40-8 Molecular Formula: C7H2BrF5 Molecular Weight (g/mol): 260.989 MDL Number: MFCD00000299 InChI Key: XDEPVFFKOVDUNO-UHFFFAOYSA-N Synonym: 2,3,4,5,6-pentafluorobenzyl bromide,pentafluorobenzyl bromide,1-bromomethyl-2,3,4,5,6-pentafluorobenzene,1-bromomethylpentafluorobenzene,alpha-bromo-2,3,4,5,6-pentafluorotoluene,bromomethyl pentafluorobenzene,benzene, bromomethyl pentafluoro,2,3,4,5,6-pentafluorobenzylbromide,pfbbr,pentafluorobenzylbromide PubChem CID: 74484 IUPAC Name: 1-(bromomethyl)-2,3,4,5,6-pentafluorobenzene SMILES: C(C1=C(C(=C(C(=C1F)F)F)F)F)Br
| PubChem CID | 74484 |
|---|---|
| CAS | 1765-40-8 |
| Molecular Weight (g/mol) | 260.989 |
| MDL Number | MFCD00000299 |
| SMILES | C(C1=C(C(=C(C(=C1F)F)F)F)F)Br |
| Synonym | 2,3,4,5,6-pentafluorobenzyl bromide,pentafluorobenzyl bromide,1-bromomethyl-2,3,4,5,6-pentafluorobenzene,1-bromomethylpentafluorobenzene,alpha-bromo-2,3,4,5,6-pentafluorotoluene,bromomethyl pentafluorobenzene,benzene, bromomethyl pentafluoro,2,3,4,5,6-pentafluorobenzylbromide,pfbbr,pentafluorobenzylbromide |
| IUPAC Name | 1-(bromomethyl)-2,3,4,5,6-pentafluorobenzene |
| InChI Key | XDEPVFFKOVDUNO-UHFFFAOYSA-N |
| Molecular Formula | C7H2BrF5 |
4,4,4-Trifluoro-1-(2-naphthyl)-1,3-butanedione, 99%
CAS: 893-33-4 Molecular Formula: C14H9F3O2 Molecular Weight (g/mol): 266.219 MDL Number: MFCD00054501 InChI Key: WVVLURYIQCXPIV-UHFFFAOYSA-N Synonym: 4,4,4-trifluoro-1-naphthalen-2-yl butane-1,3-dione,4,4,4-trifluoro-1-2-naphthyl-1,3-butanedione,1-2-naphthoyl-3,3,3-trifluoroacetone,4,4,4-trifluoro-1-2-naphthyl butane-1,3-dione,3-2-naphthoyl-1,1,1-trifluoroacetone,1,3-butanedione, 4,4,4-trifluoro-1-2-naphthalenyl,2-naphthoyltrifluoroacetone,1,3-butanedione, 4,4,4-trifluoro-1-2-naphthyl,4,4,4-trifluoro-3-oxo-2'-butyronaphthone,acmc-1bl5t PubChem CID: 70179 IUPAC Name: 4,4,4-trifluoro-1-naphthalen-2-ylbutane-1,3-dione SMILES: C1=CC=C2C=C(C=CC2=C1)C(=O)CC(=O)C(F)(F)F
| PubChem CID | 70179 |
|---|---|
| CAS | 893-33-4 |
| Molecular Weight (g/mol) | 266.219 |
| MDL Number | MFCD00054501 |
| SMILES | C1=CC=C2C=C(C=CC2=C1)C(=O)CC(=O)C(F)(F)F |
| Synonym | 4,4,4-trifluoro-1-naphthalen-2-yl butane-1,3-dione,4,4,4-trifluoro-1-2-naphthyl-1,3-butanedione,1-2-naphthoyl-3,3,3-trifluoroacetone,4,4,4-trifluoro-1-2-naphthyl butane-1,3-dione,3-2-naphthoyl-1,1,1-trifluoroacetone,1,3-butanedione, 4,4,4-trifluoro-1-2-naphthalenyl,2-naphthoyltrifluoroacetone,1,3-butanedione, 4,4,4-trifluoro-1-2-naphthyl,4,4,4-trifluoro-3-oxo-2'-butyronaphthone,acmc-1bl5t |
| IUPAC Name | 4,4,4-trifluoro-1-naphthalen-2-ylbutane-1,3-dione |
| InChI Key | WVVLURYIQCXPIV-UHFFFAOYSA-N |
| Molecular Formula | C14H9F3O2 |
Basic Fuchsin Hydrochloride MP Biomedicals
CAS: 569-61-9 Molecular Formula: C19H18ClN3 Molecular Weight (g/mol): 323.824 InChI Key: JUQPZRLQQYSMEQ-UHFFFAOYSA-N Synonym: basic red 9,pararosaniline hydrochloride,parafuchsin,pararosaniline chloride,parafuchsine,p-fuchsin,basic fuchsin,ci basic red 9,c.i. basic red 9,parafuksin PubChem CID: 11292 ChEBI: CHEBI:87663 IUPAC Name: 4-[(4-aminophenyl)-(4-iminocyclohexa-2,5-dien-1-ylidene)methyl]aniline;hydrochloride SMILES: C1=CC(=N)C=CC1=C(C2=CC=C(C=C2)N)C3=CC=C(C=C3)N.Cl
| PubChem CID | 11292 |
|---|---|
| CAS | 569-61-9 |
| Molecular Weight (g/mol) | 323.824 |
| ChEBI | CHEBI:87663 |
| SMILES | C1=CC(=N)C=CC1=C(C2=CC=C(C=C2)N)C3=CC=C(C=C3)N.Cl |
| Synonym | basic red 9,pararosaniline hydrochloride,parafuchsin,pararosaniline chloride,parafuchsine,p-fuchsin,basic fuchsin,ci basic red 9,c.i. basic red 9,parafuksin |
| IUPAC Name | 4-[(4-aminophenyl)-(4-iminocyclohexa-2,5-dien-1-ylidene)methyl]aniline;hydrochloride |
| InChI Key | JUQPZRLQQYSMEQ-UHFFFAOYSA-N |
| Molecular Formula | C19H18ClN3 |
4-Fluorobenzaldehyde, 98+%, AcroSeal™
CAS: 459-57-4 Molecular Formula: C7H5FO Molecular Weight (g/mol): 124.11 MDL Number: MFCD00003378 InChI Key: UOQXIWFBQSVDPP-UHFFFAOYSA-N Synonym: p-fluorobenzaldehyde,benzaldehyde, 4-fluoro,4-fluoro-benzaldehyde,para-fluorobenzaldehyde,p-fluorbenzaldehyde,fluorobenzaldehyde 4-,benzaldehyde, p-fluoro,pfad,4-fluoro benzaldehyde,para fluoro benzaldehyde PubChem CID: 68023 IUPAC Name: 4-fluorobenzaldehyde SMILES: C1=CC(=CC=C1C=O)F
| PubChem CID | 68023 |
|---|---|
| CAS | 459-57-4 |
| Molecular Weight (g/mol) | 124.11 |
| MDL Number | MFCD00003378 |
| SMILES | C1=CC(=CC=C1C=O)F |
| Synonym | p-fluorobenzaldehyde,benzaldehyde, 4-fluoro,4-fluoro-benzaldehyde,para-fluorobenzaldehyde,p-fluorbenzaldehyde,fluorobenzaldehyde 4-,benzaldehyde, p-fluoro,pfad,4-fluoro benzaldehyde,para fluoro benzaldehyde |
| IUPAC Name | 4-fluorobenzaldehyde |
| InChI Key | UOQXIWFBQSVDPP-UHFFFAOYSA-N |
| Molecular Formula | C7H5FO |
Phenylacetic acid hydrazide, 98%, Thermo Scientific Chemicals
CAS: 937-39-3 Molecular Formula: C8H10N2O Molecular Weight (g/mol): 150.18 MDL Number: MFCD00007612 InChI Key: FPTCVTJCJMVIDV-UHFFFAOYSA-N Synonym: phenylacetic acid hydrazide,benzeneacetic acid, hydrazide,phenylacetic hydrazide,phenylacetylhydrazine,phenylacetyl hydrazide,phenacetic acid hydrazide,2-phenylacetyl hydrazine,phenylacetohydrazide,phenylacethydrazide,phenyl-acetic acid hydrazide PubChem CID: 70301 IUPAC Name: 2-phenylacetohydrazide SMILES: C1=CC=C(C=C1)CC(=O)NN
| PubChem CID | 70301 |
|---|---|
| CAS | 937-39-3 |
| Molecular Weight (g/mol) | 150.18 |
| MDL Number | MFCD00007612 |
| SMILES | C1=CC=C(C=C1)CC(=O)NN |
| Synonym | phenylacetic acid hydrazide,benzeneacetic acid, hydrazide,phenylacetic hydrazide,phenylacetylhydrazine,phenylacetyl hydrazide,phenacetic acid hydrazide,2-phenylacetyl hydrazine,phenylacetohydrazide,phenylacethydrazide,phenyl-acetic acid hydrazide |
| IUPAC Name | 2-phenylacetohydrazide |
| InChI Key | FPTCVTJCJMVIDV-UHFFFAOYSA-N |
| Molecular Formula | C8H10N2O |
4-Bromo-3-fluorobenzoic acid, 98+%, Thermo Scientific Chemicals
CAS: 153556-42-4 Molecular Formula: C7H4BrFO2 Molecular Weight (g/mol): 219.009 MDL Number: MFCD00672932 InChI Key: RMYOGXPGIDWJLU-UHFFFAOYSA-N Synonym: 3-fluoro-4-bromobenzoic acid,benzoic acid, 4-bromo-3-fluoro,3-fluoro-4-bromo benzoic acid,4-bromo-3-fluoro-benzoic acid,pubchem1316,intermediates-zcf02169,acmc-1c1h6,ksc497g7p,4-bromo-3-fluoro benzoic acid PubChem CID: 2773341 IUPAC Name: 4-bromo-3-fluorobenzoic acid SMILES: C1=CC(=C(C=C1C(=O)O)F)Br
| PubChem CID | 2773341 |
|---|---|
| CAS | 153556-42-4 |
| Molecular Weight (g/mol) | 219.009 |
| MDL Number | MFCD00672932 |
| SMILES | C1=CC(=C(C=C1C(=O)O)F)Br |
| Synonym | 3-fluoro-4-bromobenzoic acid,benzoic acid, 4-bromo-3-fluoro,3-fluoro-4-bromo benzoic acid,4-bromo-3-fluoro-benzoic acid,pubchem1316,intermediates-zcf02169,acmc-1c1h6,ksc497g7p,4-bromo-3-fluoro benzoic acid |
| IUPAC Name | 4-bromo-3-fluorobenzoic acid |
| InChI Key | RMYOGXPGIDWJLU-UHFFFAOYSA-N |
| Molecular Formula | C7H4BrFO2 |