QSB
Summary
| Name: | 3 bromo 4 hydroxybenzoic acid |
| Synonyms: | 3-bromanyl-4-oxidanyl-benzoic acid |
| Formula: | C7 H5 Br O3 |
| Formal charge: | 0 |
| Formula weight: | 217.017 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | 3-bromanyl-4-oxidanyl-benzoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C7H5BrO3/c8-5-3-4(7(10)11)1-2-6(5)9/h1-3,9H,(H,10,11) |
| InChIKey | InChI | 1.03 | XMEQDAIDOBVHEK-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | OC(=O)c1ccc(O)c(Br)c1 |
| SMILES | CACTVS | 3.385 | OC(=O)c1ccc(O)c(Br)c1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1cc(c(cc1C(=O)O)Br)O |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1cc(c(cc1C(=O)O)Br)O |
