1,1'-(2,2,2-trichloroethane-1,1-diyl)bis(4-methoxy-3,5-dinitrobenzene)
Chemical Structure Depiction of
1,1'-(2,2,2-trichloroethane-1,1-diyl)bis(4-methoxy-3,5-dinitrobenzene)
1,1'-(2,2,2-trichloroethane-1,1-diyl)bis(4-methoxy-3,5-dinitrobenzene)
Compound characteristics
Compound ID: | 8005-4390 |
Compound Name: | 1,1'-(2,2,2-trichloroethane-1,1-diyl)bis(4-methoxy-3,5-dinitrobenzene) |
Molecular Weight: | 525.64 |
Molecular Formula: | C16 H11 Cl3 N4 O10 |
Smiles: | COc1c(cc(cc1[N+]([O-])=O)C(c1cc(c(c(c1)[N+]([O-])=O)OC)[N+]([O-])=O)C([Cl])([Cl])[Cl])[N+]([O-])=O |
Stereo: | ACHIRAL |
logP: | 4.6692 |
logD: | 4.6692 |
logSw: | -5.0387 |
Hydrogen bond acceptors count: | 18 |
Polar surface area: | 147.723 |
InChI Key: | QIIMHOLOGZAIBN-UHFFFAOYSA-N |