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45708-68-7 | 1-Methyl-4-vinylpyridinium triflate
CAS No: 45708-68-7 Catalog No: AG00DM15 MDL No:
Product Description
Catalog Number:
AG00DM15
Chemical Name:
1-Methyl-4-vinylpyridinium triflate
CAS Number:
45708-68-7
Molecular Formula:
C9H10F3NO3S
Molecular Weight:
269.2408
IUPAC Name:
4-ethenyl-1-methylpyridin-1-ium;trifluoromethanesulfonate
InChI:
InChI=1S/C8H10N.CHF3O3S/c1-3-8-4-6-9(2)7-5-8;2-1(3,4)8(5,6)7/h3-7H,1H2,2H3;(H,5,6,7)/q+1;/p-1
InChI Key:
HPNLXNXDMUZRCG-UHFFFAOYSA-M
SMILES:
FC(S(=O)(=O)[O-])(F)F.C=Cc1cc[n+](cc1)C
Properties
Complexity:
235
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
269.033g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
269.238g/mol
Monoisotopic Mass:
269.033g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
69.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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