DF0
Summary
| Name: | (2-fluorobiphenyl-4-yl)acetic acid |
| Synonyms: | Des-methylflurbiprofen |
| Formula: | C14 H11 F O2 |
| Formal charge: | 0 |
| Formula weight: | 230.234 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | (2-fluorobiphenyl-4-yl)acetic acid |
| OpenEye OEToolkits | 1.7.6 | 2-(3-fluoranyl-4-phenyl-phenyl)ethanoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | Fc2cc(ccc2c1ccccc1)CC(=O)O |
| InChI | InChI | 1.03 | InChI=1S/C14H11FO2/c15-13-8-10(9-14(16)17)6-7-12(13)11-4-2-1-3-5-11/h1-8H,9H2,(H,16,17) |
| InChIKey | InChI | 1.03 | ZLLZRKQQNGBXRD-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.370 | OC(=O)Cc1ccc(c(F)c1)c2ccccc2 |
| SMILES | CACTVS | 3.370 | OC(=O)Cc1ccc(c(F)c1)c2ccccc2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | c1ccc(cc1)c2ccc(cc2F)CC(=O)O |
| SMILES | OpenEye OEToolkits | 1.7.6 | c1ccc(cc1)c2ccc(cc2F)CC(=O)O |
