methyl 4-(4-bromo-2-fluoroanilino)-3-chloro-2-hydroxy-4-oxo-2-(trifluoromethyl)butanoate
Chemical Structure Depiction of
methyl 4-(4-bromo-2-fluoroanilino)-3-chloro-2-hydroxy-4-oxo-2-(trifluoromethyl)butanoate
methyl 4-(4-bromo-2-fluoroanilino)-3-chloro-2-hydroxy-4-oxo-2-(trifluoromethyl)butanoate
Compound characteristics
| Compound ID: | Y508-9679 |
| Compound Name: | methyl 4-(4-bromo-2-fluoroanilino)-3-chloro-2-hydroxy-4-oxo-2-(trifluoromethyl)butanoate |
| Molecular Weight: | 422.56 |
| Molecular Formula: | C12 H9 Br Cl F4 N O4 |
| Smiles: | COC(C(C(C(Nc1ccc(cc1F)[Br])=O)[Cl])(C(F)(F)F)O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 3.166 |
| logD: | 2.5788 |
| logSw: | -3.255 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 59.145 |
| InChI Key: | LUCCUPDSEAXQNP-UHFFFAOYSA-N |