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 |