[5-hydroxy-5-(trifluoromethyl)-4,5-dihydro-1H-pyrazol-1-yl](4-nitrophenyl)methanone
Chemical Structure Depiction of
[5-hydroxy-5-(trifluoromethyl)-4,5-dihydro-1H-pyrazol-1-yl](4-nitrophenyl)methanone
[5-hydroxy-5-(trifluoromethyl)-4,5-dihydro-1H-pyrazol-1-yl](4-nitrophenyl)methanone
Compound characteristics
Compound ID: | Y502-8194 |
Compound Name: | [5-hydroxy-5-(trifluoromethyl)-4,5-dihydro-1H-pyrazol-1-yl](4-nitrophenyl)methanone |
Molecular Weight: | 303.19 |
Molecular Formula: | C11 H8 F3 N3 O4 |
Smiles: | C1C=NN(C(c2ccc(cc2)[N+]([O-])=O)=O)C1(C(F)(F)F)O |
Stereo: | RACEMIC MIXTURE |
logP: | 1.4481 |
logD: | 1.448 |
logSw: | -2.0159 |
Hydrogen bond acceptors count: | 8 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 77.725 |
InChI Key: | VQGOKTVOAMBNNA-JTQLQIEISA-N |