JTK
Summary
| Name: | (2~{R})-2-[4-[3,5-bis(chloranyl)phenyl]-3-fluoranyl-phenyl]propanoic acid |
| Formula: | C15 H11 Cl2 F O2 |
| Formal charge: | 0 |
| Formula weight: | 313.151 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | (2~{R})-2-[4-[3,5-bis(chloranyl)phenyl]-3-fluoranyl-phenyl]propanoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C15H11Cl2FO2/c1-8(15(19)20)9-2-3-13(14(18)6-9)10-4-11(16)7-12(17)5-10/h2-8H,1H3,(H,19,20)/t8-/m1/s1 |
| InChIKey | InChI | 1.03 | WFTMOACTNNIYQO-MRVPVSSYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | C[C@@H](C(O)=O)c1ccc(c(F)c1)c2cc(Cl)cc(Cl)c2 |
| SMILES | CACTVS | 3.385 | C[CH](C(O)=O)c1ccc(c(F)c1)c2cc(Cl)cc(Cl)c2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | C[C@H](c1ccc(c(c1)F)c2cc(cc(c2)Cl)Cl)C(=O)O |
| SMILES | OpenEye OEToolkits | 2.0.7 | CC(c1ccc(c(c1)F)c2cc(cc(c2)Cl)Cl)C(=O)O |
