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80560-87-8 | 1-[(4-Methylphenyl)methyl]-2,4-diphenylpyridin-1-ium tetrafluoroboranuide
CAS No: 80560-87-8 Catalog No: AG01EXHK MDL No:
Product Description
Catalog Number:
AG01EXHK
Chemical Name:
1-[(4-Methylphenyl)methyl]-2,4-diphenylpyridin-1-ium tetrafluoroboranuide
CAS Number:
80560-87-8
Molecular Formula:
C25H22BF4N
Molecular Weight:
423.2535
IUPAC Name:
1-[(4-methylphenyl)methyl]-2,4-diphenylpyridin-1-ium;tetrafluoroborate
InChI:
InChI=1S/C25H22N.BF4/c1-20-12-14-21(15-13-20)19-26-17-16-24(22-8-4-2-5-9-22)18-25(26)23-10-6-3-7-11-23;2-1(3,4)5/h2-18H,19H2,1H3;/q+1;-1
InChI Key:
LDLMMKVIRDQWSV-UHFFFAOYSA-N
SMILES:
F[B-](F)(F)F.Cc1ccc(cc1)C[n+]1ccc(cc1c1ccccc1)c1ccccc1
Properties
Complexity:
418
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:
4
Topological Polar Surface Area:
3.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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