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Home > Pyridines > 131186-45-3
131186-45-3 | 4,4'-Bipyridinium, 2'-cyano-1,1'-dimethyl-, perchlorate (1:2)
CAS No: 131186-45-3 Catalog No: AG000VNX MDL No:
Product Description
Catalog Number:
AG000VNX
Chemical Name:
4,4'-Bipyridinium, 2'-cyano-1,1'-dimethyl-, perchlorate (1:2)
CAS Number:
131186-45-3
Molecular Formula:
C13H13Cl2N3O8
Molecular Weight:
410.1636
IUPAC Name:
1-methyl-4-(1-methylpyridin-1-ium-4-yl)pyridin-1-ium-2-carbonitrile;diperchlorate
InChI:
InChI=1S/C13H13N3.2ClHO4/c1-15-6-3-11(4-7-15)12-5-8-16(2)13(9-12)10-14;2*2-1(3,4)5/h3-9H,1-2H3;2*(H,2,3,4,5)/q+2;;/p-2
InChI Key:
MHBJHSKUVYCOGB-UHFFFAOYSA-L
SMILES:
[O-][Cl](=O)(=O)=O.[O-][Cl](=O)(=O)=O.N#Cc1cc(cc[n+]1C)c1cc[n+](cc1)C
Properties
Complexity:
368
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
3
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
409.008g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
9
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
410.16g/mol
Monoisotopic Mass:
409.008g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
180A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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