231953-34-7
1-ACETYL-3,5-BIS(PERFLUOROHEXYL)PYRAZOLE
Name1-ACETYL-3,5-BIS(PERFLUOROHEXYL)PYRAZOLE
1Identification
【Name】
1-ACETYL-3,5-BIS(PERFLUOROHEXYL)PYRAZOLE
【CAS】
【MDL】
MFCD01075244
【English Synonyms】
【Formula】
C17 H4 F26 N2 O
【MolWeight】
746.18
【Inchi】
InChI=1S/C17H4F26N2O/c1-3(46)45-5(7(20,21)9(24,25)11(28,29)13(32,33)15(36,37)17(41,42)43)2-4(44-45)6(18,19)8(22,23)10(26,27)12(30,31)14(34,35)16(38,39)40/h2H,1H3
【InChIKey】
InChIKey=IQHPIVLECIKIGS-UHFFFAOYSA-N
【SMILES】
CC(=O)n1c(cc(n1)C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F
【MOL File】
1-ACETYL-3,5-BIS(PER….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:0
H bond acceptor:3
XLogP3:11.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
1-ACETYL-3,5-BIS(PERFLUOROHEXYL)PYRAZOLE.cml