Benzenoids
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2,3-Difluorobenzoic Acid 98.0+%, TCI America™
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CAS: 4519-39-5 Molecular Formula: C7H3F2O2 Molecular Weight (g/mol): 157.10 MDL Number: MFCD00010267 InChI Key: JLZVIWSFUPLSOR-UHFFFAOYSA-M Synonym: 2,3-difluoro-benzoic acid,benzoic acid, 2,3-difluoro,difluorobenzoic acid,difluorobenzoic acid;,pubchem1379,2,3 difluorobenzoic acid,acmc-209k0x,2,3-difluoro benzoic acid,2,3-difluorobenzoic acid;,ksc235o6t PubChem CID: 370590 IUPAC Name: 2,3-difluorobenzoate SMILES: [O-]C(=O)C1=CC=CC(F)=C1F
| PubChem CID | 370590 |
|---|---|
| CAS | 4519-39-5 |
| Molecular Weight (g/mol) | 157.10 |
| MDL Number | MFCD00010267 |
| SMILES | [O-]C(=O)C1=CC=CC(F)=C1F |
| Synonym | 2,3-difluoro-benzoic acid,benzoic acid, 2,3-difluoro,difluorobenzoic acid,difluorobenzoic acid;,pubchem1379,2,3 difluorobenzoic acid,acmc-209k0x,2,3-difluoro benzoic acid,2,3-difluorobenzoic acid;,ksc235o6t |
| IUPAC Name | 2,3-difluorobenzoate |
| InChI Key | JLZVIWSFUPLSOR-UHFFFAOYSA-M |
| Molecular Formula | C7H3F2O2 |
3-(3-Methoxyphenoxy)propionic Acid 97.0+%, TCI America™
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CAS: 49855-03-0 Molecular Formula: C10H12O4 Molecular Weight (g/mol): 196.202 InChI Key: JKTUZDBNDYMNLO-UHFFFAOYSA-N PubChem CID: 5201573 IUPAC Name: 3-(3-methoxyphenoxy)propanoic acid SMILES: COC1=CC(=CC=C1)OCCC(=O)O
| PubChem CID | 5201573 |
|---|---|
| CAS | 49855-03-0 |
| Molecular Weight (g/mol) | 196.202 |
| SMILES | COC1=CC(=CC=C1)OCCC(=O)O |
| IUPAC Name | 3-(3-methoxyphenoxy)propanoic acid |
| InChI Key | JKTUZDBNDYMNLO-UHFFFAOYSA-N |
| Molecular Formula | C10H12O4 |
1,4-Dihydroxynaphthalene 98.0+%, TCI America™
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CAS: 571-60-8 Molecular Formula: C10H8O2 Molecular Weight (g/mol): 160.172 MDL Number: MFCD00003977 InChI Key: PCILLCXFKWDRMK-UHFFFAOYSA-N Synonym: 1,4-dihydroxynaphthalene,1,4-naphthalenediol,1,4-naphthohydroquinone,hydronaphthoquinone,naphthohydroquinone,1,4-naphthoquinol,alpha-naphthoquinhydrone,unii-aml1p6t42c,ccris 7897,naphthalene-1,4-dio PubChem CID: 11305 ChEBI: CHEBI:34063 IUPAC Name: naphthalene-1,4-diol SMILES: C1=CC=C2C(=C1)C(=CC=C2O)O
| PubChem CID | 11305 |
|---|---|
| CAS | 571-60-8 |
| Molecular Weight (g/mol) | 160.172 |
| ChEBI | CHEBI:34063 |
| MDL Number | MFCD00003977 |
| SMILES | C1=CC=C2C(=C1)C(=CC=C2O)O |
| Synonym | 1,4-dihydroxynaphthalene,1,4-naphthalenediol,1,4-naphthohydroquinone,hydronaphthoquinone,naphthohydroquinone,1,4-naphthoquinol,alpha-naphthoquinhydrone,unii-aml1p6t42c,ccris 7897,naphthalene-1,4-dio |
| IUPAC Name | naphthalene-1,4-diol |
| InChI Key | PCILLCXFKWDRMK-UHFFFAOYSA-N |
| Molecular Formula | C10H8O2 |
2,2'-Dithiobis(6-fluorobenzoic Acid) 98.0+%, TCI America™
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CAS: 147027-64-3 Molecular Formula: C14H8F2O4S2 Molecular Weight (g/mol): 342.331 InChI Key: QEONSZINEMHFPH-UHFFFAOYSA-N Synonym: Bis(2-carboxy-3-fluorophenyl) Disulfide PubChem CID: 9974633 IUPAC Name: 2-[(2-carboxy-3-fluorophenyl)disulfanyl]-6-fluorobenzoic acid SMILES: C1=CC(=C(C(=C1)SSC2=CC=CC(=C2C(=O)O)F)C(=O)O)F
| PubChem CID | 9974633 |
|---|---|
| CAS | 147027-64-3 |
| Molecular Weight (g/mol) | 342.331 |
| SMILES | C1=CC(=C(C(=C1)SSC2=CC=CC(=C2C(=O)O)F)C(=O)O)F |
| Synonym | Bis(2-carboxy-3-fluorophenyl) Disulfide |
| IUPAC Name | 2-[(2-carboxy-3-fluorophenyl)disulfanyl]-6-fluorobenzoic acid |
| InChI Key | QEONSZINEMHFPH-UHFFFAOYSA-N |
| Molecular Formula | C14H8F2O4S2 |
Methyl Pentafluorobenzoate 98.0+%, TCI America™
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CAS: 36629-42-2 Molecular Formula: C8H3F5O2 Molecular Weight (g/mol): 226.10 MDL Number: MFCD00012172 InChI Key: UXJRQNXHCZKHRJ-UHFFFAOYSA-N Synonym: methyl pentafluorobenzoate,pentafluorobenzoic acid methyl ester,benzoic acid, pentafluoro-, methyl ester,benzoic acid,2,3,4,5,6-pentafluoro-, methyl ester,methylpentafluorobenzoate,methyl perfluorobenzoate,acmc-209inq,methyl pentafluorbenzoate,perfluorobenzoic acid methyl ester PubChem CID: 606853 IUPAC Name: methyl 2,3,4,5,6-pentafluorobenzoate SMILES: COC(=O)C1=C(F)C(F)=C(F)C(F)=C1F
| PubChem CID | 606853 |
|---|---|
| CAS | 36629-42-2 |
| Molecular Weight (g/mol) | 226.10 |
| MDL Number | MFCD00012172 |
| SMILES | COC(=O)C1=C(F)C(F)=C(F)C(F)=C1F |
| Synonym | methyl pentafluorobenzoate,pentafluorobenzoic acid methyl ester,benzoic acid, pentafluoro-, methyl ester,benzoic acid,2,3,4,5,6-pentafluoro-, methyl ester,methylpentafluorobenzoate,methyl perfluorobenzoate,acmc-209inq,methyl pentafluorbenzoate,perfluorobenzoic acid methyl ester |
| IUPAC Name | methyl 2,3,4,5,6-pentafluorobenzoate |
| InChI Key | UXJRQNXHCZKHRJ-UHFFFAOYSA-N |
| Molecular Formula | C8H3F5O2 |
5-Hydroxy-1-tetralone 99.0+%, TCI America™
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CAS: 28315-93-7 Molecular Formula: C10H10O2 Molecular Weight (g/mol): 162.188 MDL Number: MFCD00001693 InChI Key: YPPZCRZRQHFRBH-UHFFFAOYSA-N Synonym: 5-hydroxy-1-tetralone,1-tetralon-5-ol,5-hydroxy-3,4-dihydronaphthalen-1 2h-one,5-hydroy-1-tetraione,1 2h-naphthalenone, 3,4-dihydro-5-hydroxy,5-hydroxy-1,2,3,4-tetrahydronaphthalen-1-one,5-hydroxytetralone,3,4-dihydro-5-hydroxy-1 2h-naphthalenone,1,2,3,4-tetrahydro-5-hydroxynaphthalen-1-one,5-hydroxy-2,3,4-trihydronaphthalen-1-one PubChem CID: 119921 IUPAC Name: 5-hydroxy-3,4-dihydro-2H-naphthalen-1-one SMILES: C1CC2=C(C=CC=C2O)C(=O)C1
| PubChem CID | 119921 |
|---|---|
| CAS | 28315-93-7 |
| Molecular Weight (g/mol) | 162.188 |
| MDL Number | MFCD00001693 |
| SMILES | C1CC2=C(C=CC=C2O)C(=O)C1 |
| Synonym | 5-hydroxy-1-tetralone,1-tetralon-5-ol,5-hydroxy-3,4-dihydronaphthalen-1 2h-one,5-hydroy-1-tetraione,1 2h-naphthalenone, 3,4-dihydro-5-hydroxy,5-hydroxy-1,2,3,4-tetrahydronaphthalen-1-one,5-hydroxytetralone,3,4-dihydro-5-hydroxy-1 2h-naphthalenone,1,2,3,4-tetrahydro-5-hydroxynaphthalen-1-one,5-hydroxy-2,3,4-trihydronaphthalen-1-one |
| IUPAC Name | 5-hydroxy-3,4-dihydro-2H-naphthalen-1-one |
| InChI Key | YPPZCRZRQHFRBH-UHFFFAOYSA-N |
| Molecular Formula | C10H10O2 |
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-Chlorobenzaldehyde Diethyl Acetal 97.0+%, TCI America™
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CAS: 2403-61-4 Molecular Formula: C11H15ClO2 Molecular Weight (g/mol): 214.69 MDL Number: MFCD08276331 InChI Key: GPLBEXMSGZWIPD-UHFFFAOYSA-N Synonym: 1-Chloro-4-(diethoxymethyl)benzene PubChem CID: 326160 IUPAC Name: 1-chloro-4-(diethoxymethyl)benzene SMILES: CCOC(OCC)C1=CC=C(Cl)C=C1
| PubChem CID | 326160 |
|---|---|
| CAS | 2403-61-4 |
| Molecular Weight (g/mol) | 214.69 |
| MDL Number | MFCD08276331 |
| SMILES | CCOC(OCC)C1=CC=C(Cl)C=C1 |
| Synonym | 1-Chloro-4-(diethoxymethyl)benzene |
| IUPAC Name | 1-chloro-4-(diethoxymethyl)benzene |
| InChI Key | GPLBEXMSGZWIPD-UHFFFAOYSA-N |
| Molecular Formula | C11H15ClO2 |
2,6-Difluorobenzonitrile 99.0+%, TCI America™
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CAS: 1897-52-5 Molecular Formula: C7H3F2N Molecular Weight (g/mol): 139.105 MDL Number: MFCD00001778 InChI Key: BNBRIFIJRKJGEI-UHFFFAOYSA-N Synonym: 2,6-difluorobenznitrile,benzonitrile, 2,6-difluoro,2,6-difluoro-benzonitrile,2,6-dfbn,unii-1j58z42a2e,2,6-difluoro benzonitrile,2,6-difluorobenzenecarbonitrile,2,6-difluorophenylcyanide,ncr bf ff,6-difluorobenzonitrile PubChem CID: 74695 IUPAC Name: 2,6-difluorobenzonitrile SMILES: C1=CC(=C(C(=C1)F)C#N)F
| PubChem CID | 74695 |
|---|---|
| CAS | 1897-52-5 |
| Molecular Weight (g/mol) | 139.105 |
| MDL Number | MFCD00001778 |
| SMILES | C1=CC(=C(C(=C1)F)C#N)F |
| Synonym | 2,6-difluorobenznitrile,benzonitrile, 2,6-difluoro,2,6-difluoro-benzonitrile,2,6-dfbn,unii-1j58z42a2e,2,6-difluoro benzonitrile,2,6-difluorobenzenecarbonitrile,2,6-difluorophenylcyanide,ncr bf ff,6-difluorobenzonitrile |
| IUPAC Name | 2,6-difluorobenzonitrile |
| InChI Key | BNBRIFIJRKJGEI-UHFFFAOYSA-N |
| Molecular Formula | C7H3F2N |
4-Methoxy-2-nitrobenzoic Acid 98.0+%, TCI America™
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CAS: 33844-21-2 Molecular Formula: C8H7NO5 Molecular Weight (g/mol): 197.146 MDL Number: MFCD04972109 InChI Key: DVZBWONCSHFMMM-UHFFFAOYSA-N Synonym: 2-Nitro-p-anisic Acid PubChem CID: 288657 SMILES: COC1=CC(=C(C=C1)C(=O)O)[N+](=O)[O-]
| PubChem CID | 288657 |
|---|---|
| CAS | 33844-21-2 |
| Molecular Weight (g/mol) | 197.146 |
| MDL Number | MFCD04972109 |
| SMILES | COC1=CC(=C(C=C1)C(=O)O)[N+](=O)[O-] |
| Synonym | 2-Nitro-p-anisic Acid |
| InChI Key | DVZBWONCSHFMMM-UHFFFAOYSA-N |
| Molecular Formula | C8H7NO5 |
2,7-Bis(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-9,9'-spirobi[9H-fluorene] 98.0+%, TCI America™
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CAS: 728911-52-2 Molecular Formula: C37H38B2O4 Molecular Weight (g/mol): 568.327 InChI Key: GKPGYJFGTIZCRP-UHFFFAOYSA-N Synonym: 2,2′-(9,9′-Spirobi[9H-fluorene]-2,7-diyl)bis(4,4,5,5-tetramethyl-1,3,2-dioxaborolane), (9,9′-Spirobi[9H-fluorene]-2,7-diyl)bis(boronic Acid Pinacol Ester) PubChem CID: 20769414 IUPAC Name: 4,4,5,5-tetramethyl-2-[7'-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-9,9'-spirobi[fluorene]-2'-yl]-1,3,2-dioxaborolane SMILES: B1(OC(C(O1)(C)C)(C)C)C2=CC3=C(C=C2)C4=C(C35C6=CC=CC=C6C7=CC=CC=C57)C=C(C=C4)B8OC(C(O8)(C)C)(C)C
| PubChem CID | 20769414 |
|---|---|
| CAS | 728911-52-2 |
| Molecular Weight (g/mol) | 568.327 |
| SMILES | B1(OC(C(O1)(C)C)(C)C)C2=CC3=C(C=C2)C4=C(C35C6=CC=CC=C6C7=CC=CC=C57)C=C(C=C4)B8OC(C(O8)(C)C)(C)C |
| Synonym | 2,2′-(9,9′-Spirobi[9H-fluorene]-2,7-diyl)bis(4,4,5,5-tetramethyl-1,3,2-dioxaborolane), (9,9′-Spirobi[9H-fluorene]-2,7-diyl)bis(boronic Acid Pinacol Ester) |
| IUPAC Name | 4,4,5,5-tetramethyl-2-[7'-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-9,9'-spirobi[fluorene]-2'-yl]-1,3,2-dioxaborolane |
| InChI Key | GKPGYJFGTIZCRP-UHFFFAOYSA-N |
| Molecular Formula | C37H38B2O4 |
1,3,5-Tris(4-bromophenyl)benzene 98.0+%, TCI America™
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CAS: 7511-49-1 Molecular Formula: C24H15Br3 Molecular Weight (g/mol): 543.096 MDL Number: MFCD00362911 InChI Key: HJQRITCAXSBOPC-UHFFFAOYSA-N Synonym: 1,3,5-tris 4-bromophenyl benzene,4,4-dibromo-5'-4-bromophenyl-1,1':3',1-terphenyl,1,1':3',1-terphenyl, 4,4-dibromo-5'-4-bromophenyl,4'-bromo-3,5-bis 4-bromophenyl-1,1'-biphenyl,acmc-209ox3,ksc496e7d,1,3,5-tris p-bromophenyl benzene,1,3,5-tri 4-bromophenyl benzene,4,4-dibromo-5'-4-bromophenyl-1,1' PubChem CID: 232761 IUPAC Name: 1,3,5-tris(4-bromophenyl)benzene SMILES: C1=CC(=CC=C1C2=CC(=CC(=C2)C3=CC=C(C=C3)Br)C4=CC=C(C=C4)Br)Br
| PubChem CID | 232761 |
|---|---|
| CAS | 7511-49-1 |
| Molecular Weight (g/mol) | 543.096 |
| MDL Number | MFCD00362911 |
| SMILES | C1=CC(=CC=C1C2=CC(=CC(=C2)C3=CC=C(C=C3)Br)C4=CC=C(C=C4)Br)Br |
| Synonym | 1,3,5-tris 4-bromophenyl benzene,4,4-dibromo-5'-4-bromophenyl-1,1':3',1-terphenyl,1,1':3',1-terphenyl, 4,4-dibromo-5'-4-bromophenyl,4'-bromo-3,5-bis 4-bromophenyl-1,1'-biphenyl,acmc-209ox3,ksc496e7d,1,3,5-tris p-bromophenyl benzene,1,3,5-tri 4-bromophenyl benzene,4,4-dibromo-5'-4-bromophenyl-1,1' |
| IUPAC Name | 1,3,5-tris(4-bromophenyl)benzene |
| InChI Key | HJQRITCAXSBOPC-UHFFFAOYSA-N |
| Molecular Formula | C24H15Br3 |
4-Methoxy-3-nitrobenzoic Acid 98.0+%, TCI America™
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CAS: 89-41-8 Molecular Formula: C8H7NO5 Molecular Weight (g/mol): 197.146 MDL Number: MFCD00007256 InChI Key: ANXBDAFDZSXOPQ-UHFFFAOYSA-N Synonym: 4-methoxy-3-nitrobenzoic acid,3-nitro-4-methoxybenzoic acid,3-nitro-p-anisic acid,benzoic acid, 4-methoxy-3-nitro,unii-dd71o31olz,p-anisic acid, 3-nitro,dd71o31olz,4-methoxy-3-nitro benzoic acid,4-methoxy-3-nitro-benzoic acid,4-methoxy-3-nitrobenzoicacid PubChem CID: 66640 SMILES: COC1=C(C=C(C=C1)C(=O)O)[N+](=O)[O-]
| PubChem CID | 66640 |
|---|---|
| CAS | 89-41-8 |
| Molecular Weight (g/mol) | 197.146 |
| MDL Number | MFCD00007256 |
| SMILES | COC1=C(C=C(C=C1)C(=O)O)[N+](=O)[O-] |
| Synonym | 4-methoxy-3-nitrobenzoic acid,3-nitro-4-methoxybenzoic acid,3-nitro-p-anisic acid,benzoic acid, 4-methoxy-3-nitro,unii-dd71o31olz,p-anisic acid, 3-nitro,dd71o31olz,4-methoxy-3-nitro benzoic acid,4-methoxy-3-nitro-benzoic acid,4-methoxy-3-nitrobenzoicacid |
| InChI Key | ANXBDAFDZSXOPQ-UHFFFAOYSA-N |
| Molecular Formula | C8H7NO5 |
4-Hydroxymethylbiphenyl 99.0+%, TCI America™
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CAS: 3597-91-9 Molecular Formula: C13H12O Molecular Weight (g/mol): 184.238 MDL Number: MFCD00004660 InChI Key: AXCHZLOJGKSWLV-UHFFFAOYSA-N Synonym: 4-biphenylmethanol,4-phenylphenyl methanol,biphenyl-4-ylmethanol,4-phenylbenzyl alcohol,p-phenylbenzyl alcohol,4-hydroxymethylbiphenyl,1,1'-biphenyl-4-ylmethanol,biphenyl-4-methanol,4-hydroxymethyl biphenyl,4hmb PubChem CID: 19186 IUPAC Name: (4-phenylphenyl)methanol SMILES: C1=CC=C(C=C1)C2=CC=C(C=C2)CO
| PubChem CID | 19186 |
|---|---|
| CAS | 3597-91-9 |
| Molecular Weight (g/mol) | 184.238 |
| MDL Number | MFCD00004660 |
| SMILES | C1=CC=C(C=C1)C2=CC=C(C=C2)CO |
| Synonym | 4-biphenylmethanol,4-phenylphenyl methanol,biphenyl-4-ylmethanol,4-phenylbenzyl alcohol,p-phenylbenzyl alcohol,4-hydroxymethylbiphenyl,1,1'-biphenyl-4-ylmethanol,biphenyl-4-methanol,4-hydroxymethyl biphenyl,4hmb |
| IUPAC Name | (4-phenylphenyl)methanol |
| InChI Key | AXCHZLOJGKSWLV-UHFFFAOYSA-N |
| Molecular Formula | C13H12O |
3-Bromo-4-methylbenzoic Acid 98.0+%, TCI America™
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CAS: 7697-26-9 Molecular Formula: C8H7BrO2 Molecular Weight (g/mol): 215.05 MDL Number: MFCD00002488 InChI Key: ZFJOMUKPDWNRFI-UHFFFAOYSA-N Synonym: 3-bromo-4-methylbenzoicacid,3-bromo-p-toluic acid,benzoic acid, 3-bromo-4-methyl,3-bromo-4-methyl-benzoic acid,bromo-p-toluic acid,pubchem3806,bromo-para-toluic acid,3-bromo4-methylbenzoic acid,acmc-1bg95,akos bbb/219 PubChem CID: 82130 IUPAC Name: 3-bromo-4-methylbenzoic acid SMILES: CC1=CC=C(C=C1Br)C(O)=O
| PubChem CID | 82130 |
|---|---|
| CAS | 7697-26-9 |
| Molecular Weight (g/mol) | 215.05 |
| MDL Number | MFCD00002488 |
| SMILES | CC1=CC=C(C=C1Br)C(O)=O |
| Synonym | 3-bromo-4-methylbenzoicacid,3-bromo-p-toluic acid,benzoic acid, 3-bromo-4-methyl,3-bromo-4-methyl-benzoic acid,bromo-p-toluic acid,pubchem3806,bromo-para-toluic acid,3-bromo4-methylbenzoic acid,acmc-1bg95,akos bbb/219 |
| IUPAC Name | 3-bromo-4-methylbenzoic acid |
| InChI Key | ZFJOMUKPDWNRFI-UHFFFAOYSA-N |
| Molecular Formula | C8H7BrO2 |