[3-hydroxy-3-(trifluoromethyl)-3,3a,4,5,6,7-hexahydro-2H-indazol-2-yl](3-nitrophenyl)methanone
Chemical Structure Depiction of
[3-hydroxy-3-(trifluoromethyl)-3,3a,4,5,6,7-hexahydro-2H-indazol-2-yl](3-nitrophenyl)methanone
[3-hydroxy-3-(trifluoromethyl)-3,3a,4,5,6,7-hexahydro-2H-indazol-2-yl](3-nitrophenyl)methanone
Compound characteristics
| Compound ID: | 3852-0200 |
| Compound Name: | [3-hydroxy-3-(trifluoromethyl)-3,3a,4,5,6,7-hexahydro-2H-indazol-2-yl](3-nitrophenyl)methanone |
| Molecular Weight: | 357.29 |
| Molecular Formula: | C15 H14 F3 N3 O4 |
| Smiles: | C1CCC2C(C1)C(C(F)(F)F)(N(C(c1cccc(c1)[N+]([O-])=O)=O)N=2)O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 3.0494 |
| logD: | 3.0494 |
| logSw: | -3.2944 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 76.302 |
| InChI Key: | JMNAMCJDPQGZKJ-UHFFFAOYSA-N |