4-(3,4-dichloroanilino)-4-oxo-3-(oxolan-2-yl)butanoic acid
Chemical Structure Depiction of
4-(3,4-dichloroanilino)-4-oxo-3-(oxolan-2-yl)butanoic acid
4-(3,4-dichloroanilino)-4-oxo-3-(oxolan-2-yl)butanoic acid
Compound characteristics
| Compound ID: | 8013-1736 |
| Compound Name: | 4-(3,4-dichloroanilino)-4-oxo-3-(oxolan-2-yl)butanoic acid |
| Molecular Weight: | 332.18 |
| Molecular Formula: | C14 H15 Cl2 N O4 |
| Smiles: | C1CC(C(CC(O)=O)C(Nc2ccc(c(c2)[Cl])[Cl])=O)OC1 |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 2.4723 |
| logD: | -0.2724 |
| logSw: | -2.9586 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 60.125 |
| InChI Key: | DEVKFZDTYBKBAG-UHFFFAOYSA-N |