26C
Summary
| Name: | 2',6'-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 | 2',6'-difluorobiphenyl-4-carboxylic acid |
| OpenEye OEToolkits | 1.5.0 | 4-(2,6-difluorophenyl)benzoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | Fc2cccc(F)c2c1ccc(C(=O)O)cc1 |
| SMILES_CANONICAL | CACTVS | 3.341 | OC(=O)c1ccc(cc1)c2c(F)cccc2F |
| SMILES | CACTVS | 3.341 | OC(=O)c1ccc(cc1)c2c(F)cccc2F |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | c1cc(c(c(c1)F)c2ccc(cc2)C(=O)O)F |
| SMILES | OpenEye OEToolkits | 1.5.0 | c1cc(c(c(c1)F)c2ccc(cc2)C(=O)O)F |
| InChI | InChI | 1.03 | InChI=1S/C13H8F2O2/c14-10-2-1-3-11(15)12(10)8-4-6-9(7-5-8)13(16)17/h1-7H,(H,16,17) |
| InChIKey | InChI | 1.03 | CWWIIKLXUPZDOG-UHFFFAOYSA-N |
