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Home > Pyridines > 126192-46-9
126192-46-9 | 4,4'-Bipyridinium, 1,1'-dioctadecyl-, perchlorate (1:2)
CAS No: 126192-46-9 Catalog No: AG000S69 MDL No:
Product Description
Catalog Number:
AG000S69
Chemical Name:
4,4'-Bipyridinium, 1,1'-dioctadecyl-, perchlorate (1:2)
CAS Number:
126192-46-9
Molecular Formula:
C46H82Cl2N2O8
Molecular Weight:
862.0579
IUPAC Name:
1-octadecyl-4-(1-octadecylpyridin-1-ium-4-yl)pyridin-1-ium;diperchlorate
InChI:
InChI=1S/C46H82N2.2ClHO4/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-39-47-41-35-45(36-42-47)46-37-43-48(44-38-46)40-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2;2*2-1(3,4)5/h35-38,41-44H,3-34,39-40H2,1-2H3;2*(H,2,3,4,5)/q+2;;/p-2
InChI Key:
MDOXEKFXLCHCDC-UHFFFAOYSA-L
SMILES:
[O-][Cl](=O)(=O)=O.[O-][Cl](=O)(=O)=O.CCCCCCCCCCCCCCCCCC[n+]1ccc(cc1)c1cc[n+](cc1)CCCCCCCCCCCCCCCCCC
Properties
Complexity:
659
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
3
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
860.545g/mol
Formal Charge:
0
Heavy Atom Count:
58
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
862.068g/mol
Monoisotopic Mass:
860.545g/mol
Rotatable Bond Count:
35
Topological Polar Surface Area:
156A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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