Home Sulfos 1-Hexyl-2,3-dimethyl-1H-imidazol-3-ium trifluoromethanesulfonate

1-Hexyl-2,3-dimethyl-1H-imidazol-3-ium trifluoromethanesulfonate

CAS No.:
797789-01-6
Catalog Number:
AG008LD0
Molecular Formula:
C12H21F3N2O3S
Molecular Weight:
330.3669
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Product Description
Catalog Number:
AG008LD0
Chemical Name:
1-Hexyl-2,3-dimethyl-1H-imidazol-3-ium trifluoromethanesulfonate
CAS Number:
797789-01-6
Molecular Formula:
C12H21F3N2O3S
Molecular Weight:
330.3669
MDL Number:
MFCD03427625
IUPAC Name:
1-hexyl-2,3-dimethylimidazol-3-ium;trifluoromethanesulfonate
InChI:
InChI=1S/C11H21N2.CHF3O3S/c1-4-5-6-7-8-13-10-9-12(3)11(13)2;2-1(3,4)8(5,6)7/h9-10H,4-8H2,1-3H3;(H,5,6,7)/q+1;/p-1
InChI Key:
BQBJIBLQQWXKBH-UHFFFAOYSA-M
SMILES:
[O-]S(=O)(=O)C(F)(F)F.CCCCCCn1cc[n+](c1C)C
Properties
Complexity:
281  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
330.122g/mol
Formal Charge:
0
Heavy Atom Count:
21  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
330.366g/mol
Monoisotopic Mass:
330.122g/mol
Rotatable Bond Count:
5  
Topological Polar Surface Area:
74.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Properties