7-chloro-4-nitro-N-[3-(trifluoromethyl)phenyl]-2,1,3-benzoxadiazol-5-amine
Chemical Structure Depiction of
7-chloro-4-nitro-N-[3-(trifluoromethyl)phenyl]-2,1,3-benzoxadiazol-5-amine
7-chloro-4-nitro-N-[3-(trifluoromethyl)phenyl]-2,1,3-benzoxadiazol-5-amine
Compound characteristics
| Compound ID: | 4061-0078 |
| Compound Name: | 7-chloro-4-nitro-N-[3-(trifluoromethyl)phenyl]-2,1,3-benzoxadiazol-5-amine |
| Molecular Weight: | 358.66 |
| Molecular Formula: | C13 H6 Cl F3 N4 O3 |
| Smiles: | c1cc(cc(c1)Nc1cc(c2c(c1[N+]([O-])=O)non2)[Cl])C(F)(F)F |
| Stereo: | ACHIRAL |
| logP: | 5.7207 |
| logD: | 5.7206 |
| logSw: | -6.2249 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 78.093 |
| InChI Key: | WQCBARXAANSAAQ-UHFFFAOYSA-N |