Home Sulfos Methanesulfonic acid, 1,1,1-trifluoro-, compd. with 1H-imidazole (1:1)

Methanesulfonic acid, 1,1,1-trifluoro-, compd. with 1H-imidazole (1:1)

CAS No.:
29727-06-8
Catalog Number:
AG002Z81
Molecular Formula:
C4H5F3N2O3S
Molecular Weight:
218.1543
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Product Description
Catalog Number:
AG002Z81
Chemical Name:
Methanesulfonic acid, 1,1,1-trifluoro-, compd. with 1H-imidazole (1:1)
CAS Number:
29727-06-8
Molecular Formula:
C4H5F3N2O3S
Molecular Weight:
218.1543
MDL Number:
MFCD00035430
IUPAC Name:
1H-imidazole;trifluoromethanesulfonic acid
InChI:
InChI=1S/C3H4N2.CHF3O3S/c1-2-5-3-4-1;2-1(3,4)8(5,6)7/h1-3H,(H,4,5);(H,5,6,7)
InChI Key:
JNJFONBBNLVENC-UHFFFAOYSA-N
SMILES:
c1ncc[nH]1.OS(=O)(=O)C(F)(F)F
Properties
Complexity:
186  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
217.997g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
7  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
218.15g/mol
Monoisotopic Mass:
217.997g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
91.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Properties