Z82
Summary
| Name: | 4-bromobenzoic acid |
| Formula: | C7 H5 Br O2 |
| Formal charge: | 0 |
| Formula weight: | 201.017 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 1.6.1 | 4-bromobenzoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES_CANONICAL | CACTVS | 3.352 | OC(=O)c1ccc(Br)cc1 |
| SMILES | CACTVS | 3.352 | OC(=O)c1ccc(Br)cc1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.0 | c1cc(ccc1C(=O)O)Br |
| SMILES | OpenEye OEToolkits | 1.7.0 | c1cc(ccc1C(=O)O)Br |
| InChI | InChI | 1.03 | InChI=1S/C7H5BrO2/c8-6-3-1-5(2-4-6)7(9)10/h1-4H,(H,9,10) |
| InChIKey | InChI | 1.03 | TUXYZHVUPGXXQG-UHFFFAOYSA-N |
