4,4,4-trichloro-3-hydroxy-1-(4-nitrophenyl)butan-1-one
Chemical Structure Depiction of
4,4,4-trichloro-3-hydroxy-1-(4-nitrophenyl)butan-1-one
4,4,4-trichloro-3-hydroxy-1-(4-nitrophenyl)butan-1-one
Compound characteristics
| Compound ID: | 0329-0179 |
| Compound Name: | 4,4,4-trichloro-3-hydroxy-1-(4-nitrophenyl)butan-1-one |
| Molecular Weight: | 312.53 |
| Molecular Formula: | C10 H8 Cl3 N O4 |
| Smiles: | C(C(C([Cl])([Cl])[Cl])O)C(c1ccc(cc1)[N+]([O-])=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.7169 |
| logD: | 2.7169 |
| logSw: | -3.3399 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 63.019 |
| InChI Key: | QDCBBMRUVZXVHD-VIFPVBQESA-N |