SXK
Summary
| Name: | [(2',4'-difluorobiphenyl-4-yl)oxy]acetic acid |
| Formula: | C14 H10 F2 O3 |
| Formal charge: | 0 |
| Formula weight: | 264.224 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | [(2',4'-difluorobiphenyl-4-yl)oxy]acetic acid |
| OpenEye OEToolkits | 1.7.0 | 2-[4-(2,4-difluorophenyl)phenoxy]ethanoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | Fc2ccc(c1ccc(OCC(=O)O)cc1)c(F)c2 |
| SMILES_CANONICAL | CACTVS | 3.370 | OC(=O)COc1ccc(cc1)c2ccc(F)cc2F |
| SMILES | CACTVS | 3.370 | OC(=O)COc1ccc(cc1)c2ccc(F)cc2F |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.0 | c1cc(ccc1c2ccc(cc2F)F)OCC(=O)O |
| SMILES | OpenEye OEToolkits | 1.7.0 | c1cc(ccc1c2ccc(cc2F)F)OCC(=O)O |
| InChI | InChI | 1.03 | InChI=1S/C14H10F2O3/c15-10-3-6-12(13(16)7-10)9-1-4-11(5-2-9)19-8-14(17)18/h1-7H,8H2,(H,17,18) |
| InChIKey | InChI | 1.03 | OIXUCWSQNBIMBL-UHFFFAOYSA-N |
