7-chloro-4-nitro-N-(3-nitrophenyl)-2,1,3-benzoxadiazol-5-amine
Chemical Structure Depiction of
7-chloro-4-nitro-N-(3-nitrophenyl)-2,1,3-benzoxadiazol-5-amine
7-chloro-4-nitro-N-(3-nitrophenyl)-2,1,3-benzoxadiazol-5-amine
Compound characteristics
| Compound ID: | 4061-0080 |
| Compound Name: | 7-chloro-4-nitro-N-(3-nitrophenyl)-2,1,3-benzoxadiazol-5-amine |
| Molecular Weight: | 335.66 |
| Molecular Formula: | C12 H6 Cl N5 O5 |
| Smiles: | c1cc(cc(c1)[N+]([O-])=O)Nc1cc(c2c(c1[N+]([O-])=O)non2)[Cl] |
| Stereo: | ACHIRAL |
| logP: | 4.7452 |
| logD: | 4.7451 |
| logSw: | -5.1195 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 111.475 |
| InChI Key: | BBTLMDJZQQIWSV-UHFFFAOYSA-N |