methyl 4-(3,4-dichloroanilino)-2-hydroxy-4-oxo-2-(trifluoromethyl)butanoate
Chemical Structure Depiction of
methyl 4-(3,4-dichloroanilino)-2-hydroxy-4-oxo-2-(trifluoromethyl)butanoate
methyl 4-(3,4-dichloroanilino)-2-hydroxy-4-oxo-2-(trifluoromethyl)butanoate
Compound characteristics
| Compound ID: | Y501-1452 |
| Compound Name: | methyl 4-(3,4-dichloroanilino)-2-hydroxy-4-oxo-2-(trifluoromethyl)butanoate |
| Molecular Weight: | 360.11 |
| Molecular Formula: | C12 H10 Cl2 F3 N O4 |
| Smiles: | COC(C(CC(Nc1ccc(c(c1)[Cl])[Cl])=O)(C(F)(F)F)O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.0467 |
| logD: | 3.0189 |
| logSw: | -3.1425 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 60.097 |
| InChI Key: | YNPLACAHMXLMFE-LLVKDONJSA-N |