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Summary
| Name: | 4-bromo-3-methylbenzoic acid |
| Formula: | C8 H7 Br O2 |
| Formal charge: | 0 |
| Formula weight: | 215.044 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 4-bromo-3-methylbenzoic acid |
| OpenEye OEToolkits | 1.7.6 | 4-bromanyl-3-methyl-benzoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | Brc1ccc(C(=O)O)cc1C |
| InChI | InChI | 1.03 | InChI=1S/C8H7BrO2/c1-5-4-6(8(10)11)2-3-7(5)9/h2-4H,1H3,(H,10,11) |
| InChIKey | InChI | 1.03 | KWVXDZLVCISXIB-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.370 | Cc1cc(ccc1Br)C(O)=O |
| SMILES | CACTVS | 3.370 | Cc1cc(ccc1Br)C(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | Cc1cc(ccc1Br)C(=O)O |
| SMILES | OpenEye OEToolkits | 1.7.6 | Cc1cc(ccc1Br)C(=O)O |
