IT4
Summary
| Name: | 4-bromanyl-2-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 | 4-bromanyl-2-oxidanyl-benzoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C7H5BrO3/c8-4-1-2-5(7(10)11)6(9)3-4/h1-3,9H,(H,10,11) |
| InChIKey | InChI | 1.06 | FYAKLZKQJDBBKW-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | OC(=O)c1ccc(Br)cc1O |
| SMILES | CACTVS | 3.385 | OC(=O)c1ccc(Br)cc1O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1cc(c(cc1Br)O)C(=O)O |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1cc(c(cc1Br)O)C(=O)O |
