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Home > Pyridines > 113919-74-7
113919-74-7 | 4,2':4',4''-Terpyridinium, 1,1''-dimethyl-, diperchlorate (9CI)
CAS No: 113919-74-7 Catalog No: AG000A25 MDL No:
Product Description
Catalog Number:
AG000A25
Chemical Name:
4,2':4',4''-Terpyridinium, 1,1''-dimethyl-, diperchlorate (9CI)
CAS Number:
113919-74-7
Molecular Formula:
C17H18Cl2N3O8+
Molecular Weight:
463.2461
IUPAC Name:
2,4-bis(1-methylpyridin-1-ium-4-yl)pyridin-1-ium;diperchlorate
InChI:
InChI=1S/C17H17N3.2ClHO4/c1-19-9-4-14(5-10-19)16-3-8-18-17(13-16)15-6-11-20(2)12-7-15;2*2-1(3,4)5/h3-13H,1-2H3;2*(H,2,3,4,5)/q+2;;/p-1
InChI Key:
AXOJNYFAXANIJV-UHFFFAOYSA-M
SMILES:
[O-][Cl](=O)(=O)=O.[O-][Cl](=O)(=O)=O.C[n+]1ccc(cc1)c1cc[nH+]c(c1)c1cc[n+](cc1)C
Properties
Complexity:
387
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
3
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
462.047g/mol
Formal Charge:
1
Heavy Atom Count:
30
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
463.244g/mol
Monoisotopic Mass:
462.047g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
170A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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