UNJ
Summary
| Name: | 5-bromo-1-benzofuran-2-carboxylic acid |
| Formula: | C9 H5 Br O3 |
| Formal charge: | 0 |
| Formula weight: | 241.038 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 5-bromo-1-benzofuran-2-carboxylic acid |
| OpenEye OEToolkits | 1.7.0 | 5-bromo-1-benzofuran-2-carboxylic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=C(O)c2oc1ccc(Br)cc1c2 |
| SMILES_CANONICAL | CACTVS | 3.370 | OC(=O)c1oc2ccc(Br)cc2c1 |
| SMILES | CACTVS | 3.370 | OC(=O)c1oc2ccc(Br)cc2c1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.0 | c1cc2c(cc1Br)cc(o2)C(=O)O |
| SMILES | OpenEye OEToolkits | 1.7.0 | c1cc2c(cc1Br)cc(o2)C(=O)O |
| InChI | InChI | 1.03 | InChI=1S/C9H5BrO3/c10-6-1-2-7-5(3-6)4-8(13-7)9(11)12/h1-4H,(H,11,12) |
| InChIKey | InChI | 1.03 | QKUWZCOVKRUXKX-UHFFFAOYSA-N |
