trifluoromethanesulfonate;5-(trifluoromethyl)dibenzothiophen-5-ium


Chemical Name: trifluoromethanesulfonate;5-(trifluoromethyl)dibenzothiophen-5-ium
CAS Number: 129946-88-9
Product Number: AG000TT3(AGN-PC-0KKYA6)
Synonyms:
MDL No:
Molecular Formula: C14H8F6O3S2
Molecular Weight: 402.3319

Identification/Properties


Properties
MP:
155 °C
Storage:
Keep in dry area;Room Temperature;
Form:
Solid
Computed Properties
Molecular Weight:
402.325g/mol
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
9
Rotatable Bond Count:
0
Exact Mass:
401.982g/mol
Monoisotopic Mass:
401.982g/mol
Topological Polar Surface Area:
66.6A^2
Heavy Atom Count:
25
Formal Charge:
0
Complexity:
412
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
0
Undefined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Covalently-Bonded Unit Count:
2
Compound Is Canonicalized:
Yes

Safety Information


GHS Pictogram:
Signal Word:
Warning
UN#:
-
Hazard Statements:
H315-H319-H335
Precautionary Statements:
P261-P305+P351+P338
Class:
-
Packing Group:
-

NMR Spectrum


Other Analytical Data


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