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83993-92-4 | 1-Benzyl-4-(4-bromophenyl)-2,6-diphenylpyridin-1-ium tetrafluoroborate
CAS No: 83993-92-4 Catalog No: AG01EXLU MDL No:
Product Description
Catalog Number:
AG01EXLU
Chemical Name:
1-Benzyl-4-(4-bromophenyl)-2,6-diphenylpyridin-1-ium tetrafluoroborate
CAS Number:
83993-92-4
Molecular Formula:
C30H23BBrF4N
Molecular Weight:
564.2189
IUPAC Name:
1-benzyl-4-(4-bromophenyl)-2,6-diphenylpyridin-1-ium;tetrafluoroborate
InChI:
InChI=1S/C30H23BrN.BF4/c31-28-18-16-24(17-19-28)27-20-29(25-12-6-2-7-13-25)32(22-23-10-4-1-5-11-23)30(21-27)26-14-8-3-9-15-26;2-1(3,4)5/h1-21H,22H2;/q+1;-1
InChI Key:
DIDOZAFVSYNQIM-UHFFFAOYSA-N
SMILES:
F[B-](F)(F)F.Brc1ccc(cc1)c1cc(c2ccccc2)[n+](c(c1)c1ccccc1)Cc1ccccc1
Properties
Complexity:
528
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
563.104g/mol
Formal Charge:
0
Heavy Atom Count:
37
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
564.229g/mol
Monoisotopic Mass:
563.104g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
3.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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