1272298-76-6
3-(DIFLUOROMETHYL)-1-(2,4-DIFLUOROPHENYL)-1H-PYRAZOL-5(4H)-ONE
Name3-(DIFLUOROMETHYL)-1-(2,4-DIFLUOROPHENYL)-1H-PYRAZOL-5(4H)-ONE
1Identification
【Name】
3-(DIFLUOROMETHYL)-1-(2,4-DIFLUOROPHENYL)-1H-PYRAZOL-5(4H)-ONE
【CAS】
【MDL】
MFCD17402549
【English Synonyms】
【Formula】
C10 H6 F4 N2 O
【MolWeight】
246.162
【Inchi】
InChI=1S/C10H6F4N2O/c11-5-1-2-8(6(12)3-5)16-9(17)4-7(15-16)10(13)14/h1-3,10H,4H2
【InChIKey】
InChIKey=YZODDPFBYRLSOX-UHFFFAOYSA-N
【SMILES】
c1cc(c(cc1F)F)N2C(=O)CC(=N2)C(F)F
【MOL File】
3-(DIFLUOROMETHYL)-1….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:0
H bond acceptor:3
XLogP3:2.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
3-(DIFLUOROMETHYL)-1-(2,4-DIFLUOROPHENYL)-1H-PYRAZOL-5(4H)-ONE.cml