CXJ
Summary
| Name: | (2S)-(3,5-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 | (2S)-(3,5-difluorophenyl)(hydroxy)acetic acid |
| OpenEye OEToolkits | 2.0.6 | (2~{S})-2-[3,5-bis(fluoranyl)phenyl]-2-oxidanyl-ethanoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | c1c(cc(F)cc1C(C(O)=O)O)F |
| InChI | InChI | 1.03 | InChI=1S/C8H6F2O3/c9-5-1-4(2-6(10)3-5)7(11)8(12)13/h1-3,7,11H,(H,12,13)/t7-/m0/s1 |
| InChIKey | InChI | 1.03 | PHMLPPFFMSRWBK-ZETCQYMHSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | O[C@H](C(O)=O)c1cc(F)cc(F)c1 |
| SMILES | CACTVS | 3.385 | O[CH](C(O)=O)c1cc(F)cc(F)c1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | c1c(cc(cc1F)F)[C@@H](C(=O)O)O |
| SMILES | OpenEye OEToolkits | 2.0.6 | c1c(cc(cc1F)F)C(C(=O)O)O |
