S1D
Summary
| Name: | 3-(4-fluorophenyl)benzoic acid |
| Formula: | C13 H9 F O2 |
| Formal charge: | 0 |
| Formula weight: | 216.208 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.6 | 3-(4-fluorophenyl)benzoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C13H9FO2/c14-12-6-4-9(5-7-12)10-2-1-3-11(8-10)13(15)16/h1-8H,(H,15,16) |
| InChIKey | InChI | 1.03 | YUQPLNXKGVRIAJ-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | OC(=O)c1cccc(c1)c2ccc(F)cc2 |
| SMILES | CACTVS | 3.385 | OC(=O)c1cccc(c1)c2ccc(F)cc2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | c1cc(cc(c1)C(=O)O)c2ccc(cc2)F |
| SMILES | OpenEye OEToolkits | 2.0.6 | c1cc(cc(c1)C(=O)O)c2ccc(cc2)F |
