758709-44-3
1-(1,3-DIMETHYL-1H-PYRAZOL-4-YL)-4,4,4-TRIFLUOROBUTANE-1,3-DIONE
Name1-(1,3-DIMETHYL-1H-PYRAZOL-4-YL)-4,4,4-TRIFLUOROBUTANE-1,3-DIONE
1Identification
【Name】
1-(1,3-DIMETHYL-1H-PYRAZOL-4-YL)-4,4,4-TRIFLUOROBUTANE-1,3-DIONE
【CAS】
【MDL】
MFCD03419772
【English Synonyms】
【Formula】
C9 H9 F3 N2 O2
【MolWeight】
234.176
【Inchi】
InChI=1S/C9H9F3N2O2/c1-5-6(4-14(2)13-5)7(15)3-8(16)9(10,11)12/h4H,3H2,1-2H3
【InChIKey】
InChIKey=YOUQVUDXGZRPNP-UHFFFAOYSA-N
【SMILES】
Cc1c(cn(n1)C)C(=O)CC(=O)C(F)(F)F
【MOL File】
1-(1,3-DIMETHYL-1H-P….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:0
H bond acceptor:4
XLogP3:0.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
1-(1,3-DIMETHYL-1H-PYRAZOL-4-YL)-4,4,4-TRIFLUOROBUTANE-1,3-DIONE.cml