N-(4-chloro-3-nitrophenyl)-7-nitro-2,1,3-benzoxadiazol-4-amine
Chemical Structure Depiction of
N-(4-chloro-3-nitrophenyl)-7-nitro-2,1,3-benzoxadiazol-4-amine
N-(4-chloro-3-nitrophenyl)-7-nitro-2,1,3-benzoxadiazol-4-amine
Compound characteristics
| Compound ID: | 1582-0029 |
| Compound Name: | N-(4-chloro-3-nitrophenyl)-7-nitro-2,1,3-benzoxadiazol-4-amine |
| Molecular Weight: | 335.66 |
| Molecular Formula: | C12 H6 Cl N5 O5 |
| Smiles: | c1cc(c(cc1Nc1ccc(c2c1non2)[N+]([O-])=O)[N+]([O-])=O)[Cl] |
| Stereo: | ACHIRAL |
| logP: | 4.1263 |
| logD: | 4.1263 |
| logSw: | -4.5155 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 111.475 |
| InChI Key: | WEHMVMPOHZEVLX-UHFFFAOYSA-N |