VKF
Summary
| Name: | 4-(difluoromethyl)benzoic acid |
| Formula: | C8 H6 F2 O2 |
| Formal charge: | 0 |
| Formula weight: | 172.129 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 4-(difluoromethyl)benzoic acid |
| OpenEye OEToolkits | 2.0.7 | 4-[bis(fluoranyl)methyl]benzoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | FC(F)c1ccc(cc1)C(=O)O |
| InChI | InChI | 1.06 | InChI=1S/C8H6F2O2/c9-7(10)5-1-3-6(4-2-5)8(11)12/h1-4,7H,(H,11,12) |
| InChIKey | InChI | 1.06 | AVYXJQFZBUXNHB-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | OC(=O)c1ccc(cc1)C(F)F |
| SMILES | CACTVS | 3.385 | OC(=O)c1ccc(cc1)C(F)F |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1cc(ccc1C(F)F)C(=O)O |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1cc(ccc1C(F)F)C(=O)O |
