4-[(phenylimino)methyl]phenyl 3,5-dinitrobenzoate
Chemical Structure Depiction of
4-[(phenylimino)methyl]phenyl 3,5-dinitrobenzoate
4-[(phenylimino)methyl]phenyl 3,5-dinitrobenzoate
Compound characteristics
| Compound ID: | 8006-3604 |
| Compound Name: | 4-[(phenylimino)methyl]phenyl 3,5-dinitrobenzoate |
| Molecular Weight: | 391.34 |
| Molecular Formula: | C20 H13 N3 O6 |
| Smiles: | C(\c1ccc(cc1)OC(c1cc(cc(c1)[N+]([O-])=O)[N+]([O-])=O)=O)=N/c1ccccc1 |
| Stereo: | ACHIRAL |
| logP: | 3.7729 |
| logD: | 3.7722 |
| logSw: | -4.1617 |
| Hydrogen bond acceptors count: | 12 |
| Polar surface area: | 95.507 |
| InChI Key: | NXQGRCDUUKGMPG-UHFFFAOYSA-N |