1FL
Summary
| Name: | 5-(2,4-DIFLUOROPHENYL)-2-HYDROXY-BENZOIC ACID |
| Synonyms: | Diflunisal |
| Formula: | C13 H8 F2 O3 |
| Formal charge: | 0 |
| Formula weight: | 250.198 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | 2',4'-difluoro-4-hydroxybiphenyl-3-carboxylic acid |
| OpenEye OEToolkits | 1.5.0 | 5-(2,4-difluorophenyl)-2-hydroxy-benzoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | O=C(O)c1cc(ccc1O)c2ccc(F)cc2F |
| SMILES_CANONICAL | CACTVS | 3.341 | OC(=O)c1cc(ccc1O)c2ccc(F)cc2F |
| SMILES | CACTVS | 3.341 | OC(=O)c1cc(ccc1O)c2ccc(F)cc2F |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | c1cc(c(cc1c2ccc(cc2F)F)C(=O)O)O |
| SMILES | OpenEye OEToolkits | 1.5.0 | c1cc(c(cc1c2ccc(cc2F)F)C(=O)O)O |
| InChI | InChI | 1.03 | InChI=1S/C13H8F2O3/c14-8-2-3-9(11(15)6-8)7-1-4-12(16)10(5-7)13(17)18/h1-6,16H,(H,17,18) |
| InChIKey | InChI | 1.03 | HUPFGZXOMWLGNK-UHFFFAOYSA-N |
