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Home > Fluorides > 403842-84-2
403842-84-2 | 1-Methyl-3-n-octylimidazolium Trifluoromethanesulfonate
CAS No: 403842-84-2 Catalog No: AG003EHS MDL No:MFCD06411717
Product Description
Catalog Number:
AG003EHS
Chemical Name:
1-Methyl-3-n-octylimidazolium Trifluoromethanesulfonate
CAS Number:
403842-84-2
Molecular Formula:
C13H23F3N2O3S
Molecular Weight:
344.3935
MDL Number:
MFCD06411717
IUPAC Name:
1-methyl-3-octylimidazol-1-ium;trifluoromethanesulfonate
InChI:
InChI=1S/C12H23N2.CHF3O3S/c1-3-4-5-6-7-8-9-14-11-10-13(2)12-14;2-1(3,4)8(5,6)7/h10-12H,3-9H2,1-2H3;(H,5,6,7)/q+1;/p-1
InChI Key:
BCVMAYRUJBXMAP-UHFFFAOYSA-M
SMILES:
FC(S(=O)(=O)[O-])(F)F.CCCCCCCC[n+]1ccn(c1)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:
344.138g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
344.393g/mol
Monoisotopic Mass:
344.138g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
74.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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