UNE
Summary
| Name: | 5-bromo-7-methoxy-1-benzofuran-2-carboxylic acid |
| Formula: | C10 H7 Br O4 |
| Formal charge: | 0 |
| Formula weight: | 271.064 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 5-bromo-7-methoxy-1-benzofuran-2-carboxylic acid |
| OpenEye OEToolkits | 1.7.0 | 5-bromo-7-methoxy-1-benzofuran-2-carboxylic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=C(O)c2oc1c(OC)cc(Br)cc1c2 |
| SMILES_CANONICAL | CACTVS | 3.370 | COc1cc(Br)cc2cc(oc12)C(O)=O |
| SMILES | CACTVS | 3.370 | COc1cc(Br)cc2cc(oc12)C(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.0 | COc1cc(cc2c1oc(c2)C(=O)O)Br |
| SMILES | OpenEye OEToolkits | 1.7.0 | COc1cc(cc2c1oc(c2)C(=O)O)Br |
| InChI | InChI | 1.03 | InChI=1S/C10H7BrO4/c1-14-7-4-6(11)2-5-3-8(10(12)13)15-9(5)7/h2-4H,1H3,(H,12,13) |
| InChIKey | InChI | 1.03 | OEICZFFUNDGUEF-UHFFFAOYSA-N |
