1-[3,5-bis(difluoromethyl)-5-hydroxy-4,5-dihydro-1H-pyrazol-1-yl]-2-(2-nitrophenoxy)ethan-1-one
Chemical Structure Depiction of
1-[3,5-bis(difluoromethyl)-5-hydroxy-4,5-dihydro-1H-pyrazol-1-yl]-2-(2-nitrophenoxy)ethan-1-one
1-[3,5-bis(difluoromethyl)-5-hydroxy-4,5-dihydro-1H-pyrazol-1-yl]-2-(2-nitrophenoxy)ethan-1-one
Compound characteristics
| Compound ID: | Y501-7903 |
| Compound Name: | 1-[3,5-bis(difluoromethyl)-5-hydroxy-4,5-dihydro-1H-pyrazol-1-yl]-2-(2-nitrophenoxy)ethan-1-one |
| Molecular Weight: | 365.24 |
| Molecular Formula: | C13 H11 F4 N3 O5 |
| Smiles: | C1C(C(F)F)=NN(C(COc2ccccc2[N+]([O-])=O)=O)C1(C(F)F)O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 0.9478 |
| logD: | 0.9477 |
| logSw: | -1.5396 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 83.929 |
| InChI Key: | BBPYZHSQEMDTBG-ZDUSSCGKSA-N |