4-{[(4-bromophenyl)imino]methyl}phenyl 3,5-dinitrobenzoate
Chemical Structure Depiction of
4-{[(4-bromophenyl)imino]methyl}phenyl 3,5-dinitrobenzoate
4-{[(4-bromophenyl)imino]methyl}phenyl 3,5-dinitrobenzoate
Compound characteristics
| Compound ID: | 8006-3606 |
| Compound Name: | 4-{[(4-bromophenyl)imino]methyl}phenyl 3,5-dinitrobenzoate |
| Molecular Weight: | 470.23 |
| Molecular Formula: | C20 H12 Br N3 O6 |
| Smiles: | C(\c1ccc(cc1)OC(c1cc(cc(c1)[N+]([O-])=O)[N+]([O-])=O)=O)=N/c1ccc(cc1)[Br] |
| Stereo: | ACHIRAL |
| logP: | 4.7284 |
| logD: | 4.7282 |
| logSw: | -4.9091 |
| Hydrogen bond acceptors count: | 12 |
| Polar surface area: | 95.507 |
| InChI Key: | OWNNAHBCQPYCJJ-UHFFFAOYSA-N |