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36305-51-8 | 1,1'-Diethyl-[4,4'-bipyridine]-1,1'-diium perchlorate
CAS No: 36305-51-8 Catalog No: AG003QHN MDL No:MFCD00134591
Product Description
Catalog Number:
AG003QHN
Chemical Name:
1,1'-Diethyl-[4,4'-bipyridine]-1,1'-diium perchlorate
CAS Number:
36305-51-8
Molecular Formula:
C14H18Cl2N2O8
Molecular Weight:
413.2073
MDL Number:
MFCD00134591
IUPAC Name:
1-ethyl-4-(1-ethylpyridin-1-ium-4-yl)pyridin-1-ium;diperchlorate
InChI:
InChI=1S/C14H18N2.2ClHO4/c1-3-15-9-5-13(6-10-15)14-7-11-16(4-2)12-8-14;2*2-1(3,4)5/h5-12H,3-4H2,1-2H3;2*(H,2,3,4,5)/q+2;;/p-2
InChI Key:
HTNDMKDAPWJPEX-UHFFFAOYSA-L
SMILES:
[O-][Cl](=O)(=O)=O.[O-][Cl](=O)(=O)=O.CC[n+]1ccc(cc1)c1cc[n+](cc1)CC
Properties
Complexity:
263
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
3
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
412.044g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
413.204g/mol
Monoisotopic Mass:
412.044g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
156A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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