Home Sulfos 1-Fluoro-2,4,6-trimethylpyridin-1-ium trifluoromethanesulfonate

1-Fluoro-2,4,6-trimethylpyridin-1-ium trifluoromethanesulfonate

CAS No.:
107264-00-6
Catalog Number:
AG003EBU
Molecular Formula:
C9H11F4NO3S
Molecular Weight:
289.2472
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Product Description
Catalog Number:
AG003EBU
Chemical Name:
1-Fluoro-2,4,6-trimethylpyridin-1-ium trifluoromethanesulfonate
CAS Number:
107264-00-6
Molecular Formula:
C9H11F4NO3S
Molecular Weight:
289.2472
MDL Number:
MFCD00067525
IUPAC Name:
1-fluoro-2,4,6-trimethylpyridin-1-ium;trifluoromethanesulfonate
InChI:
InChI=1S/C8H11FN.CHF3O3S/c1-6-4-7(2)10(9)8(3)5-6;2-1(3,4)8(5,6)7/h4-5H,1-3H3;(H,5,6,7)/q+1;/p-1
InChI Key:
PRIGFEJKMMRJSF-UHFFFAOYSA-M
SMILES:
FC(S(=O)(=O)[O-])(F)F.Cc1cc(C)cc([n+]1F)C
Properties
Complexity:
249  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
289.04g/mol
Formal Charge:
0
Heavy Atom Count:
18  
Hydrogen Bond Acceptor Count:
7  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
289.245g/mol
Monoisotopic Mass:
289.04g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
69.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Properties