3-{[(2-methylphenyl)imino]methyl}phenyl 3,5-dinitrobenzoate
Chemical Structure Depiction of
3-{[(2-methylphenyl)imino]methyl}phenyl 3,5-dinitrobenzoate
3-{[(2-methylphenyl)imino]methyl}phenyl 3,5-dinitrobenzoate
Compound characteristics
| Compound ID: | 8002-1587 |
| Compound Name: | 3-{[(2-methylphenyl)imino]methyl}phenyl 3,5-dinitrobenzoate |
| Molecular Weight: | 405.37 |
| Molecular Formula: | C21 H15 N3 O6 |
| Smiles: | Cc1ccccc1/N=C/c1cccc(c1)OC(c1cc(cc(c1)[N+]([O-])=O)[N+]([O-])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.4774 |
| logD: | 4.4772 |
| logSw: | -4.5758 |
| Hydrogen bond acceptors count: | 12 |
| Polar surface area: | 94.809 |
| InChI Key: | ZCVHDFJEWHFFRO-UHFFFAOYSA-N |