bis(4-{[(4-bromophenyl)imino]methyl}phenyl) 2-nitrobenzene-1,4-dicarboxylate
Chemical Structure Depiction of
bis(4-{[(4-bromophenyl)imino]methyl}phenyl) 2-nitrobenzene-1,4-dicarboxylate
bis(4-{[(4-bromophenyl)imino]methyl}phenyl) 2-nitrobenzene-1,4-dicarboxylate
Compound characteristics
| Compound ID: | 8003-2021 |
| Compound Name: | bis(4-{[(4-bromophenyl)imino]methyl}phenyl) 2-nitrobenzene-1,4-dicarboxylate |
| Molecular Weight: | 727.37 |
| Molecular Formula: | C34 H21 Br2 N3 O6 |
| Smiles: | C(\c1ccc(cc1)OC(c1ccc(C(=O)Oc2ccc(/C=N/c3ccc(cc3)[Br])cc2)c(c1)[N+]([O-])=O)=O)=N/c1ccc(cc1)[Br] |
| Stereo: | ACHIRAL |
| logP: | 7.9065 |
| logD: | 7.9063 |
| logSw: | -6.2555 |
| Hydrogen bond acceptors count: | 12 |
| Polar surface area: | 90.329 |
| InChI Key: | IRTYNBLEICJIMU-UHFFFAOYSA-N |