5-nitro-N-[3-(trifluoromethyl)phenyl]-2,1,3-benzoxadiazol-4-amine
Chemical Structure Depiction of
5-nitro-N-[3-(trifluoromethyl)phenyl]-2,1,3-benzoxadiazol-4-amine
5-nitro-N-[3-(trifluoromethyl)phenyl]-2,1,3-benzoxadiazol-4-amine
Compound characteristics
| Compound ID: | 1616-0086 |
| Compound Name: | 5-nitro-N-[3-(trifluoromethyl)phenyl]-2,1,3-benzoxadiazol-4-amine |
| Molecular Weight: | 324.22 |
| Molecular Formula: | C13 H7 F3 N4 O3 |
| Smiles: | c1cc(cc(c1)Nc1c(ccc2c1non2)[N+]([O-])=O)C(F)(F)F |
| Stereo: | ACHIRAL |
| logP: | 4.3783 |
| logD: | 4.3783 |
| logSw: | -4.641 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 76.926 |
| InChI Key: | IBJZYVNVTABIBX-UHFFFAOYSA-N |