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80560-55-0 | 1-Benzyl-2,4-diphenylpyridin-1-ium tetrafluoroborate
CAS No: 80560-55-0 Catalog No: AG01EXHI MDL No:
Product Description
Catalog Number:
AG01EXHI
Chemical Name:
1-Benzyl-2,4-diphenylpyridin-1-ium tetrafluoroborate
CAS Number:
80560-55-0
Molecular Formula:
C24H20BF4N
Molecular Weight:
409.2269
IUPAC Name:
1-benzyl-2,4-diphenylpyridin-1-ium;tetrafluoroborate
InChI:
InChI=1S/C24H20N.BF4/c1-4-10-20(11-5-1)19-25-17-16-23(21-12-6-2-7-13-21)18-24(25)22-14-8-3-9-15-22;2-1(3,4)5/h1-18H,19H2;/q+1;-1
InChI Key:
OSEGAITUPFNDOO-UHFFFAOYSA-N
SMILES:
c1ccc(cc1)C[n+]1ccc(cc1c1ccccc1)c1ccccc1.F[B-](F)(F)F
Properties
Complexity:
393
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
409.162g/mol
Formal Charge:
0
Heavy Atom Count:
30
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
409.235g/mol
Monoisotopic Mass:
409.162g/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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