4FC
Summary
| Name: | 4'-FLUORO-1,1'-BIPHENYL-4-CARBOXYLIC ACID |
| Formula: | C13 H9 F O2 |
| Formal charge: | 0 |
| Formula weight: | 216.208 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | 4'-fluorobiphenyl-4-carboxylic acid |
| OpenEye OEToolkits | 1.5.0 | 4-(4-fluorophenyl)benzoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | Fc2ccc(c1ccc(C(=O)O)cc1)cc2 |
| SMILES_CANONICAL | CACTVS | 3.341 | OC(=O)c1ccc(cc1)c2ccc(F)cc2 |
| SMILES | CACTVS | 3.341 | OC(=O)c1ccc(cc1)c2ccc(F)cc2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | c1cc(ccc1c2ccc(cc2)F)C(=O)O |
| SMILES | OpenEye OEToolkits | 1.5.0 | c1cc(ccc1c2ccc(cc2)F)C(=O)O |
| InChI | InChI | 1.03 | InChI=1S/C13H9FO2/c14-12-7-5-10(6-8-12)9-1-3-11(4-2-9)13(15)16/h1-8H,(H,15,16) |
| InChIKey | InChI | 1.03 | LXWNTLBMNCXRQN-UHFFFAOYSA-N |
