4,4,4-trichloro-1-(4-nitrophenyl)butane-1,3-diyl diacetate
Chemical Structure Depiction of
4,4,4-trichloro-1-(4-nitrophenyl)butane-1,3-diyl diacetate
4,4,4-trichloro-1-(4-nitrophenyl)butane-1,3-diyl diacetate
Compound characteristics
| Compound ID: | 0330-0110 |
| Compound Name: | 4,4,4-trichloro-1-(4-nitrophenyl)butane-1,3-diyl diacetate |
| Molecular Weight: | 398.62 |
| Molecular Formula: | C14 H14 Cl3 N O6 |
| Smiles: | CC(=O)OC(CC(C([Cl])([Cl])[Cl])OC(C)=O)c1ccc(cc1)[N+]([O-])=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 3.5805 |
| logD: | 3.5805 |
| logSw: | -4.0181 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 74.428 |
| InChI Key: | OCWVPCJVRRZUHH-UHFFFAOYSA-N |