7WV
Summary
| Name: | 2-bromobenzoic acid |
| Formula: | C7 H5 Br O2 |
| Formal charge: | 0 |
| Formula weight: | 201.017 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 2-bromobenzoic acid |
| OpenEye OEToolkits | 2.0.6 | 2-bromanylbenzoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | c1ccc(c(c1)C(O)=O)Br |
| InChI | InChI | 1.03 | InChI=1S/C7H5BrO2/c8-6-4-2-1-3-5(6)7(9)10/h1-4H,(H,9,10) |
| InChIKey | InChI | 1.03 | XRXMNWGCKISMOH-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | OC(=O)c1ccccc1Br |
| SMILES | CACTVS | 3.385 | OC(=O)c1ccccc1Br |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | c1ccc(c(c1)C(=O)O)Br |
| SMILES | OpenEye OEToolkits | 2.0.6 | c1ccc(c(c1)C(=O)O)Br |
