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Home > Fluorides > 457602-00-5
457602-00-5 | 1-(4-Methylphenyl)-2-[(E)-2-(4-nitrophenyl)vinyl]-4,6-diphenylpyridinium tetrafluoroborate
CAS No: 457602-00-5 Catalog No: AG01EW2D MDL No:
Product Description
Catalog Number:
AG01EW2D
Chemical Name:
1-(4-Methylphenyl)-2-[(E)-2-(4-nitrophenyl)vinyl]-4,6-diphenylpyridinium tetrafluoroborate
CAS Number:
457602-00-5
Molecular Formula:
C32H25BF4N2O2
Molecular Weight:
556.3577
IUPAC Name:
1-(4-methylphenyl)-2-[(E)-2-(4-nitrophenyl)ethenyl]-4,6-diphenylpyridin-1-ium;tetrafluoroborate
InChI:
InChI=1S/C32H25N2O2.BF4/c1-24-12-17-29(18-13-24)33-31(21-16-25-14-19-30(20-15-25)34(35)36)22-28(26-8-4-2-5-9-26)23-32(33)27-10-6-3-7-11-27;2-1(3,4)5/h2-23H,1H3;/q+1;-1/b21-16+;
InChI Key:
NZAPEONYJNIKGW-JEBHESKQSA-N
SMILES:
F[B-](F)(F)F.Cc1ccc(cc1)[n+]1c(/C=C/c2ccc(cc2)[N+](=O)[O-])cc(cc1c1ccccc1)c1ccccc1
Properties
Complexity:
723
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1
Exact Mass:
556.195g/mol
Formal Charge:
0
Heavy Atom Count:
41
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
556.368g/mol
Monoisotopic Mass:
556.195g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
49.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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