N-[2-nitro-4-(trifluoromethyl)phenyl]valine
Chemical Structure Depiction of
N-[2-nitro-4-(trifluoromethyl)phenyl]valine
N-[2-nitro-4-(trifluoromethyl)phenyl]valine
Compound characteristics
| Compound ID: | 2512-2068 |
| Compound Name: | N-[2-nitro-4-(trifluoromethyl)phenyl]valine |
| Molecular Weight: | 306.24 |
| Molecular Formula: | C12 H13 F3 N2 O4 |
| Smiles: | CC(C)C(C(O)=O)Nc1ccc(cc1[N+]([O-])=O)C(F)(F)F |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.1145 |
| logD: | -1.426 |
| logSw: | -2.7891 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 70.887 |
| InChI Key: | YKANMRVNHVYATD-JTQLQIEISA-N |