FBC
Summary
| Name: | 3',5'-DIFLUOROBIPHENYL-4-CARBOXYLIC ACID |
| Formula: | C13 H8 F2 O2 |
| Formal charge: | 0 |
| Formula weight: | 234.198 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | 3',5'-difluorobiphenyl-4-carboxylic acid |
| OpenEye OEToolkits | 1.5.0 | 4-(3,5-difluorophenyl)benzoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | Fc2cc(c1ccc(C(=O)O)cc1)cc(F)c2 |
| SMILES_CANONICAL | CACTVS | 3.341 | OC(=O)c1ccc(cc1)c2cc(F)cc(F)c2 |
| SMILES | CACTVS | 3.341 | OC(=O)c1ccc(cc1)c2cc(F)cc(F)c2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | c1cc(ccc1c2cc(cc(c2)F)F)C(=O)O |
| SMILES | OpenEye OEToolkits | 1.5.0 | c1cc(ccc1c2cc(cc(c2)F)F)C(=O)O |
| InChI | InChI | 1.03 | InChI=1S/C13H8F2O2/c14-11-5-10(6-12(15)7-11)8-1-3-9(4-2-8)13(16)17/h1-7H,(H,16,17) |
| InChIKey | InChI | 1.03 | VCEFNMHMLWBFNV-UHFFFAOYSA-N |
