14J
Summary
| Name: | 5-bromofuran-2-carboxylic acid |
| Formula: | C5 H3 Br O3 |
| Formal charge: | 0 |
| Formula weight: | 190.98 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 5-bromofuran-2-carboxylic acid |
| OpenEye OEToolkits | 1.7.6 | 5-bromanylfuran-2-carboxylic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=C(O)c1oc(Br)cc1 |
| InChI | InChI | 1.03 | InChI=1S/C5H3BrO3/c6-4-2-1-3(9-4)5(7)8/h1-2H,(H,7,8) |
| InChIKey | InChI | 1.03 | YVTQHZDUDUCGRD-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.370 | OC(=O)c1oc(Br)cc1 |
| SMILES | CACTVS | 3.370 | OC(=O)c1oc(Br)cc1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | c1cc(oc1C(=O)O)Br |
| SMILES | OpenEye OEToolkits | 1.7.6 | c1cc(oc1C(=O)O)Br |
