N~1~,N'~1~-bis(3-bromophenyl)-4-chloro-2,4-dinitrobuta-1,3-diene-1,1-diamine
Chemical Structure Depiction of
N~1~,N'~1~-bis(3-bromophenyl)-4-chloro-2,4-dinitrobuta-1,3-diene-1,1-diamine
N~1~,N'~1~-bis(3-bromophenyl)-4-chloro-2,4-dinitrobuta-1,3-diene-1,1-diamine
Compound characteristics
| Compound ID: | 8004-1195 |
| Compound Name: | N~1~,N'~1~-bis(3-bromophenyl)-4-chloro-2,4-dinitrobuta-1,3-diene-1,1-diamine |
| Molecular Weight: | 518.55 |
| Molecular Formula: | C16 H11 Br2 Cl N4 O4 |
| Smiles: | C(=C(/[N+]([O-])=O)[Cl])/C(=C(Nc1cccc(c1)[Br])Nc1cccc(c1)[Br])[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 5.9061 |
| logD: | 5.0827 |
| logSw: | -6.2511 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 83.991 |
| InChI Key: | AFEBATFKCRZNDJ-UHFFFAOYSA-N |