2,6-dibromo-4-{[(4-methylphenyl)imino]methyl}phenyl 3,5-dinitrobenzoate
Chemical Structure Depiction of
2,6-dibromo-4-{[(4-methylphenyl)imino]methyl}phenyl 3,5-dinitrobenzoate
2,6-dibromo-4-{[(4-methylphenyl)imino]methyl}phenyl 3,5-dinitrobenzoate
Compound characteristics
| Compound ID: | 8004-5177 |
| Compound Name: | 2,6-dibromo-4-{[(4-methylphenyl)imino]methyl}phenyl 3,5-dinitrobenzoate |
| Molecular Weight: | 563.16 |
| Molecular Formula: | C21 H13 Br2 N3 O6 |
| Smiles: | Cc1ccc(cc1)/N=C/c1cc(c(c(c1)[Br])OC(c1cc(cc(c1)[N+]([O-])=O)[N+]([O-])=O)=O)[Br] |
| Stereo: | ACHIRAL |
| logP: | 5.791 |
| logD: | 5.7905 |
| logSw: | -5.5549 |
| Hydrogen bond acceptors count: | 12 |
| Polar surface area: | 95.68 |
| InChI Key: | ZFUHORSAYZXVCO-UHFFFAOYSA-N |