4,4'-{propane-2,2-diylbis[(2,6-dibromo-4,1-phenylene)oxy]}bis(3-nitrobenzonitrile)
Chemical Structure Depiction of
4,4'-{propane-2,2-diylbis[(2,6-dibromo-4,1-phenylene)oxy]}bis(3-nitrobenzonitrile)
4,4'-{propane-2,2-diylbis[(2,6-dibromo-4,1-phenylene)oxy]}bis(3-nitrobenzonitrile)
Compound characteristics
| Compound ID: | 8009-7384 |
| Compound Name: | 4,4'-{propane-2,2-diylbis[(2,6-dibromo-4,1-phenylene)oxy]}bis(3-nitrobenzonitrile) |
| Molecular Weight: | 836.09 |
| Molecular Formula: | C29 H16 Br4 N4 O6 |
| Smiles: | CC(C)(c1cc(c(c(c1)[Br])Oc1ccc(C#N)cc1[N+]([O-])=O)[Br])c1cc(c(c(c1)[Br])Oc1ccc(C#N)cc1[N+]([O-])=O)[Br] |
| Stereo: | ACHIRAL |
| logP: | 9.4201 |
| logD: | 9.4201 |
| logSw: | -5.8563 |
| Hydrogen bond acceptors count: | 12 |
| Polar surface area: | 114.256 |
| InChI Key: | VUCUKBXIXGJHLR-UHFFFAOYSA-N |