Home Sulfos 4-(3-Butyl-1-imidazolio)-1-butanesulfonic acid triflate

4-(3-Butyl-1-imidazolio)-1-butanesulfonic acid triflate

CAS No.:
439937-63-0
Catalog Number:
AG0072LJ
Molecular Formula:
C12H21F3N2O6S2
Molecular Weight:
410.4301
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Product Description
Catalog Number:
AG0072LJ
Chemical Name:
4-(3-Butyl-1-imidazolio)-1-butanesulfonic acid triflate
CAS Number:
439937-63-0
Molecular Formula:
C12H21F3N2O6S2
Molecular Weight:
410.4301
MDL Number:
MFCD07784446
IUPAC Name:
4-(3-butylimidazol-1-ium-1-yl)butane-1-sulfonic acid;trifluoromethanesulfonate
InChI:
InChI=1S/C11H20N2O3S.CHF3O3S/c1-2-3-6-12-8-9-13(11-12)7-4-5-10-17(14,15)16;2-1(3,4)8(5,6)7/h8-9,11H,2-7,10H2,1H3;(H,5,6,7)
InChI Key:
JJUNHKAVFOFCHX-UHFFFAOYSA-N
SMILES:
[O-]S(=O)(=O)C(F)(F)F.CCCCn1cc[n+](c1)CCCCS(=O)(=O)O
Properties
Complexity:
445  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
410.079g/mol
Formal Charge:
0
Heavy Atom Count:
25  
Hydrogen Bond Acceptor Count:
9  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
410.423g/mol
Monoisotopic Mass:
410.079g/mol
Rotatable Bond Count:
8  
Topological Polar Surface Area:
137A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Properties