N-(3-bromo-4-methylphenyl)-7-chloro-4-nitro-2,1,3-benzoxadiazol-5-amine
Chemical Structure Depiction of
N-(3-bromo-4-methylphenyl)-7-chloro-4-nitro-2,1,3-benzoxadiazol-5-amine
N-(3-bromo-4-methylphenyl)-7-chloro-4-nitro-2,1,3-benzoxadiazol-5-amine
Compound characteristics
| Compound ID: | 4061-0052 |
| Compound Name: | N-(3-bromo-4-methylphenyl)-7-chloro-4-nitro-2,1,3-benzoxadiazol-5-amine |
| Molecular Weight: | 383.59 |
| Molecular Formula: | C13 H8 Br Cl N4 O3 |
| Smiles: | Cc1ccc(cc1[Br])Nc1cc(c2c(c1[N+]([O-])=O)non2)[Cl] |
| Stereo: | ACHIRAL |
| logP: | 5.7695 |
| logD: | 5.7695 |
| logSw: | -6.069 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 78.093 |
| InChI Key: | CTYPFTOOABYPMU-UHFFFAOYSA-N |