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Home > Pyridines > 116195-99-4
116195-99-4 | 4,4'-Bipyridinium, 1,1',2-trimethyl-6-phenyl-, perchlorate (1:2)
CAS No: 116195-99-4 Catalog No: AG000BUV MDL No:
Product Description
Catalog Number:
AG000BUV
Chemical Name:
4,4'-Bipyridinium, 1,1',2-trimethyl-6-phenyl-, perchlorate (1:2)
CAS Number:
116195-99-4
Molecular Formula:
C19H20Cl2N2O8
Molecular Weight:
475.2767
IUPAC Name:
1,2-dimethyl-4-(1-methylpyridin-1-ium-4-yl)-6-phenylpyridin-1-ium;diperchlorate
InChI:
InChI=1S/C19H20N2.2ClHO4/c1-15-13-18(16-9-11-20(2)12-10-16)14-19(21(15)3)17-7-5-4-6-8-17;2*2-1(3,4)5/h4-14H,1-3H3;2*(H,2,3,4,5)/q+2;;/p-2
InChI Key:
ZWMWXTDTSRXVAG-UHFFFAOYSA-L
SMILES:
[O-][Cl](=O)(=O)=O.[O-][Cl](=O)(=O)=O.C[n+]1ccc(cc1)c1cc(C)[n+](c(c1)c1ccccc1)C
Properties
Complexity:
411
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
3
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
474.06g/mol
Formal Charge:
0
Heavy Atom Count:
31
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
475.275g/mol
Monoisotopic Mass:
474.06g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
156A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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