4-nitro-N-[2-(trifluoromethyl)phenyl]-2,1,3-benzoxadiazol-5-amine
Chemical Structure Depiction of
4-nitro-N-[2-(trifluoromethyl)phenyl]-2,1,3-benzoxadiazol-5-amine
4-nitro-N-[2-(trifluoromethyl)phenyl]-2,1,3-benzoxadiazol-5-amine
Compound characteristics
| Compound ID: | K034-0071 |
| Compound Name: | 4-nitro-N-[2-(trifluoromethyl)phenyl]-2,1,3-benzoxadiazol-5-amine |
| Molecular Weight: | 324.22 |
| Molecular Formula: | C13 H7 F3 N4 O3 |
| Smiles: | c1ccc(c(c1)C(F)(F)F)Nc1ccc2c(c1[N+]([O-])=O)non2 |
| Stereo: | ACHIRAL |
| logP: | 4.8806 |
| logD: | 4.8806 |
| logSw: | -4.9124 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 76.625 |
| InChI Key: | ARWRRLDPOVCVCN-UHFFFAOYSA-N |