25061-59-0
1-(2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-PENTADECAFLUOROOCTYL)PYRIDINIUM TRIFLUOROMETHANESULFONATE
Name1-(2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-PENTADECAFLUOROOCTYL)PYRIDINIUM TRIFLUOROMETHANESULFONATE
FormulaC13 H7 F15 N . C F3 O3 S
1Identification
【Name】
1-(2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-PENTADECAFLUOROOCTYL)PYRIDINIUM TRIFLUOROMETHANESULFONATE
【CAS】
【MDL】
MFCD01690927
【English Synonyms】
1-(2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-PENTADECAFLUOROOCTYL)PYRIDINIUM TRIFLUOROMETHANESULFONATE
【Formula】
C13 H7 F15 N . C F3 O3 S
【MolWeight】
611.243
【Inchi】
InChI=1S/C13H7F15N.CHF3O3S/c14-7(15,6-29-4-2-1-3-5-29)8(16,17)9(18,19)10(20,21)11(22,23)12(24,25)13(26,27)28;2-1(3,4)8(5,6)7/h1-5H,6H2;(H,5,6,7)/q+1;/p-1
【InChIKey】
InChIKey=YBVIGZGPYGVIDI-UHFFFAOYSA-M
【SMILES】
c1cc[n+](cc1)CC(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F.C(F)(F)(F)S(=O)(=O)[O-]
【MOL File】
1-(2,2,3,3,4,4,5,5,6….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:0
H bond acceptor:1
XLogP3:4.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
1-(2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-PENTADECAFLUOROOCTYL)PYRIDINIUM TRIFLUOROMETHANESULFONATE.cml