1,1,1-trifluoropropan-2-yl trifluoromethanesulfonate


Chemical Name: 1,1,1-trifluoropropan-2-yl trifluoromethanesulfonate
CAS Number: 212556-43-9
Product Number: AG019ZH9(AG019ZH9)
Synonyms:
MDL No:
Molecular Formula: C4H4F6O3S
Molecular Weight: 246.1282

Identification/Properties


Computed Properties
Molecular Weight:
246.123g/mol
XLogP3:
2.4
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
9
Rotatable Bond Count:
2
Exact Mass:
245.979g/mol
Monoisotopic Mass:
245.979g/mol
Topological Polar Surface Area:
51.8A^2
Heavy Atom Count:
14
Formal Charge:
0
Complexity:
282
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
0
Undefined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Covalently-Bonded Unit Count:
1
Compound Is Canonicalized:
Yes

Safety Information


GHS Pictogram:
Signal Word:
Danger
UN#:
3265
Hazard Statements:
H301-H314-H330
Precautionary Statements:
P260-P280-P284-P301+P310-P305+P351+P338-P310
Class:
8
Packing Group:

NMR Spectrum


Other Analytical Data


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