3-{[(3,4-dichlorophenyl)imino]methyl}phenyl 3,5-dinitrobenzoate
Chemical Structure Depiction of
3-{[(3,4-dichlorophenyl)imino]methyl}phenyl 3,5-dinitrobenzoate
3-{[(3,4-dichlorophenyl)imino]methyl}phenyl 3,5-dinitrobenzoate
Compound characteristics
| Compound ID: | 8003-4874 |
| Compound Name: | 3-{[(3,4-dichlorophenyl)imino]methyl}phenyl 3,5-dinitrobenzoate |
| Molecular Weight: | 460.23 |
| Molecular Formula: | C20 H11 Cl2 N3 O6 |
| Smiles: | C(\c1cccc(c1)OC(c1cc(cc(c1)[N+]([O-])=O)[N+]([O-])=O)=O)=N/c1ccc(c(c1)[Cl])[Cl] |
| Stereo: | ACHIRAL |
| logP: | 5.2945 |
| logD: | 5.2945 |
| logSw: | -6.1907 |
| Hydrogen bond acceptors count: | 12 |
| Polar surface area: | 95.507 |
| InChI Key: | BKIQTXKCKWUQIZ-UHFFFAOYSA-N |