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71670-95-6 | 1-Benzyl-2,3,5,6-tetraphenylpyridinium tetrafluoroborate
CAS No: 71670-95-6 Catalog No: AG01EX2S MDL No:
Product Description
Catalog Number:
AG01EX2S
Chemical Name:
1-Benzyl-2,3,5,6-tetraphenylpyridinium tetrafluoroborate
CAS Number:
71670-95-6
Molecular Formula:
C36H28BF4N
Molecular Weight:
561.4188
IUPAC Name:
1-benzyl-2,3,5,6-tetraphenylpyridin-1-ium;tetrafluoroborate
InChI:
InChI=1S/C36H28N.BF4/c1-6-16-28(17-7-1)27-37-35(31-22-12-4-13-23-31)33(29-18-8-2-9-19-29)26-34(30-20-10-3-11-21-30)36(37)32-24-14-5-15-25-32;2-1(3,4)5/h1-26H,27H2;/q+1;-1
InChI Key:
XWKUYWPMWZSXRH-UHFFFAOYSA-N
SMILES:
c1ccc(cc1)C[n+]1c(c2ccccc2)c(cc(c1c1ccccc1)c1ccccc1)c1ccccc1.F[B-](F)(F)F
Properties
Complexity:
615
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
561.225g/mol
Formal Charge:
0
Heavy Atom Count:
42
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
561.431g/mol
Monoisotopic Mass:
561.225g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
3.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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