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88214-10-2 | 2,2'-Bipyridinium, 1,5,5'-trimethyl-, iodide
CAS No: 88214-10-2 Catalog No: AG004BXZ MDL No:
Product Description
Catalog Number:
AG004BXZ
Chemical Name:
2,2'-Bipyridinium, 1,5,5'-trimethyl-, iodide
CAS Number:
88214-10-2
Molecular Formula:
C13H16I2N2
Molecular Weight:
454.0885
IUPAC Name:
1,5-dimethyl-2-(5-methylpyridin-1-ium-2-yl)pyridin-1-ium;diiodide
InChI:
InChI=1S/C13H15N2.2HI/c1-10-4-6-12(14-8-10)13-7-5-11(2)9-15(13)3;;/h4-9H,1-3H3;2*1H/q+1;;/p-1
InChI Key:
QPQDUQAZNGOXCG-UHFFFAOYSA-M
SMILES:
Cc1ccc([nH+]c1)c1ccc(c[n+]1C)C.[I-].[I-]
Properties
Complexity:
205
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
3
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
453.94g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
454.094g/mol
Monoisotopic Mass:
453.94g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
18A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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