3-bromo-1,1,1-trichloro-4-(4-nitrophenyl)-4-oxobutan-2-yl acetate
Chemical Structure Depiction of
3-bromo-1,1,1-trichloro-4-(4-nitrophenyl)-4-oxobutan-2-yl acetate
3-bromo-1,1,1-trichloro-4-(4-nitrophenyl)-4-oxobutan-2-yl acetate
Compound characteristics
| Compound ID: | 0329-0187 |
| Compound Name: | 3-bromo-1,1,1-trichloro-4-(4-nitrophenyl)-4-oxobutan-2-yl acetate |
| Molecular Weight: | 433.47 |
| Molecular Formula: | C12 H9 Br Cl3 N O5 |
| Smiles: | CC(=O)OC(C(C(c1ccc(cc1)[N+]([O-])=O)=O)[Br])C([Cl])([Cl])[Cl] |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 3.8303 |
| logD: | 3.8303 |
| logSw: | -4.2806 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 67.866 |
| InChI Key: | ZKGOGQDZYXPICH-UHFFFAOYSA-N |