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Home > Fluorides > 129946-88-9
129946-88-9 | Dibenzothiophenium, 5-(trifluoromethyl)-, 1,1,1-trifluoromethanesulfonate (1:1)
CAS No: 129946-88-9 Catalog No: AG000TT3 MDL No:MFCD00236132
Product Description
Catalog Number:
AG000TT3
Chemical Name:
Dibenzothiophenium, 5-(trifluoromethyl)-, 1,1,1-trifluoromethanesulfonate (1:1)
CAS Number:
129946-88-9
Molecular Formula:
C14H8F6O3S2
Molecular Weight:
402.3319
MDL Number:
MFCD00236132
IUPAC Name:
trifluoromethanesulfonate;5-(trifluoromethyl)dibenzothiophen-5-ium
InChI:
InChI=1S/C13H8F3S.CHF3O3S/c14-13(15,16)17-11-7-3-1-5-9(11)10-6-2-4-8-12(10)17;2-1(3,4)8(5,6)7/h1-8H;(H,5,6,7)/q+1;/p-1
InChI Key:
QXXHXTRTGZBOGD-UHFFFAOYSA-M
SMILES:
[O-]S(=O)(=O)C(F)(F)F.FC([S+]1c2ccccc2c2c1cccc2)(F)F
Properties
Complexity:
412
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
401.982g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
9
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
402.325g/mol
Monoisotopic Mass:
401.982g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
66.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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