N-(2-bromo-5-nitrophenyl)-7-chloro-4-nitro-2,1,3-benzoxadiazol-5-amine
Chemical Structure Depiction of
N-(2-bromo-5-nitrophenyl)-7-chloro-4-nitro-2,1,3-benzoxadiazol-5-amine
N-(2-bromo-5-nitrophenyl)-7-chloro-4-nitro-2,1,3-benzoxadiazol-5-amine
Compound characteristics
| Compound ID: | 1582-0054 |
| Compound Name: | N-(2-bromo-5-nitrophenyl)-7-chloro-4-nitro-2,1,3-benzoxadiazol-5-amine |
| Molecular Weight: | 414.56 |
| Molecular Formula: | C12 H5 Br Cl N5 O5 |
| Smiles: | c1cc(c(cc1[N+]([O-])=O)Nc1cc(c2c(c1[N+]([O-])=O)non2)[Cl])[Br] |
| Stereo: | ACHIRAL |
| logP: | 5.2638 |
| logD: | 5.2622 |
| logSw: | -5.9614 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 110.777 |
| InChI Key: | WEWFLHYVTYSMGT-UHFFFAOYSA-N |