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76016-86-9 | 1-Methyl-2,4,6-triphenylpyridin-1-ium trifluoromethanesulfonate
CAS No: 76016-86-9 Catalog No: AG01EXB1 MDL No:MFCD00960224
Product Description
Catalog Number:
AG01EXB1
Chemical Name:
1-Methyl-2,4,6-triphenylpyridin-1-ium trifluoromethanesulfonate
CAS Number:
76016-86-9
Molecular Formula:
C25H20F3NO3S
Molecular Weight:
471.4914
MDL Number:
MFCD00960224
IUPAC Name:
1-methyl-2,4,6-triphenylpyridin-1-ium;trifluoromethanesulfonate
InChI:
InChI=1S/C24H20N.CHF3O3S/c1-25-23(20-13-7-3-8-14-20)17-22(19-11-5-2-6-12-19)18-24(25)21-15-9-4-10-16-21;2-1(3,4)8(5,6)7/h2-18H,1H3;(H,5,6,7)/q+1;/p-1
InChI Key:
JXTQDCJQBAZWIB-UHFFFAOYSA-M
SMILES:
[O-]S(=O)(=O)C(F)(F)F.C[n+]1c(cc(cc1c1ccccc1)c1ccccc1)c1ccccc1
Properties
Complexity:
504
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
471.112g/mol
Formal Charge:
0
Heavy Atom Count:
33
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
471.494g/mol
Monoisotopic Mass:
471.112g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
69.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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