methyl 4-(4-bromo-2-fluoroanilino)-2-hydroxy-4-oxo-2-(trifluoromethyl)butanoate
Chemical Structure Depiction of
methyl 4-(4-bromo-2-fluoroanilino)-2-hydroxy-4-oxo-2-(trifluoromethyl)butanoate
methyl 4-(4-bromo-2-fluoroanilino)-2-hydroxy-4-oxo-2-(trifluoromethyl)butanoate
Compound characteristics
| Compound ID: | Y500-7566 |
| Compound Name: | methyl 4-(4-bromo-2-fluoroanilino)-2-hydroxy-4-oxo-2-(trifluoromethyl)butanoate |
| Molecular Weight: | 388.11 |
| Molecular Formula: | C12 H10 Br F4 N O4 |
| Smiles: | COC(C(CC(Nc1ccc(cc1F)[Br])=O)(C(F)(F)F)O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.253 |
| logD: | 2.2248 |
| logSw: | -2.8902 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 59.399 |
| InChI Key: | BQSSDNDOYMUOBN-LLVKDONJSA-N |