71735-31-4
BARIUM PENTAFLUOROBENZENESULFONATE
NameBARIUM PENTAFLUOROBENZENESULFONATE
1Identification
【Name】
BARIUM PENTAFLUOROBENZENESULFONATE
【CAS】
【MDL】
MFCD00013107
【English Synonyms】
【Formula】
2 C6 F5 O3 S . Ba
【MolWeight】
631.568
【Inchi】
InChI=1S/2C6HF5O3S.Ba/c2*7-1-2(8)4(10)6(15(12,13)14)5(11)3(1)9;/h2*(H,12,13,14);/q;;+2/p-2
【InChIKey】
InChIKey=BLLYNRVBNWQNNM-UHFFFAOYSA-L
【SMILES】
c1(c(c(c(c(c1F)F)S(=O)(=O)[O-])F)F)F.c1(c(c(c(c(c1F)F)S(=O)(=O)[O-])F)F)F.[Ba+2]
【MOL File】
BARIUM PENTAFLUOROBE….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:0
H bond acceptor:3
XLogP3:0.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
BARIUM PENTAFLUOROBENZENESULFONATE.cml