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Home > Fluorides > 104659-81-6
104659-81-6 | 2-Methyl-1-(4-methylphenyl)-4,6-diphenylpyridinium tetrafluoroborate
CAS No: 104659-81-6 Catalog No: AG01F55U MDL No:
Product Description
Catalog Number:
AG01F55U
Chemical Name:
2-Methyl-1-(4-methylphenyl)-4,6-diphenylpyridinium tetrafluoroborate
CAS Number:
104659-81-6
Molecular Formula:
C25H22BF4N
Molecular Weight:
423.2535
IUPAC Name:
2-methyl-1-(4-methylphenyl)-4,6-diphenylpyridin-1-ium;tetrafluoroborate
InChI:
InChI=1S/C25H22N.BF4/c1-19-13-15-24(16-14-19)26-20(2)17-23(21-9-5-3-6-10-21)18-25(26)22-11-7-4-8-12-22;2-1(3,4)5/h3-18H,1-2H3;/q+1;-1
InChI Key:
BQUAXSLKUZQFBF-UHFFFAOYSA-N
SMILES:
F[B-](F)(F)F.Cc1ccc(cc1)[n+]1c(C)cc(cc1c1ccccc1)c1ccccc1
Properties
Complexity:
431
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
423.178g/mol
Formal Charge:
0
Heavy Atom Count:
31
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
423.262g/mol
Monoisotopic Mass:
423.178g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
3.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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