W25
Summary
| Name: | (2R)-(3,4-difluorophenyl)(hydroxy)acetic acid |
| Formula: | C8 H6 F2 O3 |
| Formal charge: | 0 |
| Formula weight: | 188.128 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | (2R)-(3,4-difluorophenyl)(hydroxy)acetic acid |
| OpenEye OEToolkits | 2.0.7 | (2~{R})-2-[3,4-bis(fluoranyl)phenyl]-2-oxidanyl-ethanoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | Fc1ccc(cc1F)C(O)C(=O)O |
| InChI | InChI | 1.06 | InChI=1S/C8H6F2O3/c9-5-2-1-4(3-6(5)10)7(11)8(12)13/h1-3,7,11H,(H,12,13)/t7-/m1/s1 |
| InChIKey | InChI | 1.06 | BKHXODARAOCNDJ-SSDOTTSWSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | O[C@@H](C(O)=O)c1ccc(F)c(F)c1 |
| SMILES | CACTVS | 3.385 | O[CH](C(O)=O)c1ccc(F)c(F)c1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1cc(c(cc1[C@H](C(=O)O)O)F)F |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1cc(c(cc1C(C(=O)O)O)F)F |
