WL3
Summary
| Name: | 2-(4-fluorophenyl)carbonylbenzoic acid |
| Formula: | C14 H9 F O3 |
| Formal charge: | 0 |
| Formula weight: | 244.218 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 1.7.6 | 2-(4-fluorophenyl)carbonylbenzoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C14H9FO3/c15-10-7-5-9(6-8-10)13(16)11-3-1-2-4-12(11)14(17)18/h1-8H,(H,17,18) |
| InChIKey | InChI | 1.03 | FJAZVXUPZQSZKI-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | OC(=O)c1ccccc1C(=O)c2ccc(F)cc2 |
| SMILES | CACTVS | 3.385 | OC(=O)c1ccccc1C(=O)c2ccc(F)cc2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | c1ccc(c(c1)C(=O)c2ccc(cc2)F)C(=O)O |
| SMILES | OpenEye OEToolkits | 1.7.6 | c1ccc(c(c1)C(=O)c2ccc(cc2)F)C(=O)O |
