methyl 4-(3-chloro-4-methylanilino)-2-hydroxy-4-oxo-2-(trifluoromethyl)butanoate
Chemical Structure Depiction of
methyl 4-(3-chloro-4-methylanilino)-2-hydroxy-4-oxo-2-(trifluoromethyl)butanoate
methyl 4-(3-chloro-4-methylanilino)-2-hydroxy-4-oxo-2-(trifluoromethyl)butanoate
Compound characteristics
| Compound ID: | Y501-1453 |
| Compound Name: | methyl 4-(3-chloro-4-methylanilino)-2-hydroxy-4-oxo-2-(trifluoromethyl)butanoate |
| Molecular Weight: | 339.7 |
| Molecular Formula: | C13 H13 Cl F3 N O4 |
| Smiles: | Cc1ccc(cc1[Cl])NC(CC(C(=O)OC)(C(F)(F)F)O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.9626 |
| logD: | 2.962 |
| logSw: | -3.0388 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 60.097 |
| InChI Key: | IZIAQEZMQCTNMK-GFCCVEGCSA-N |