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102915-64-0 | 4,4'-Bipyridinium, 1,1'-ditetradecyl-, diiodide
CAS No: 102915-64-0 Catalog No: AG007J24 MDL No:
Product Description
Catalog Number:
AG007J24
Chemical Name:
4,4'-Bipyridinium, 1,1'-ditetradecyl-, diiodide
CAS Number:
102915-64-0
Molecular Formula:
C38H66I2N2
Molecular Weight:
804.7530
IUPAC Name:
1-tetradecyl-4-(1-tetradecylpyridin-1-ium-4-yl)pyridin-1-ium;diiodide
InChI:
InChI=1S/C38H66N2.2HI/c1-3-5-7-9-11-13-15-17-19-21-23-25-31-39-33-27-37(28-34-39)38-29-35-40(36-30-38)32-26-24-22-20-18-16-14-12-10-8-6-4-2;;/h27-30,33-36H,3-26,31-32H2,1-2H3;2*1H/q+2;;/p-2
InChI Key:
FYASZULUHNSTJV-UHFFFAOYSA-L
SMILES:
CCCCCCCCCCCCCC[n+]1ccc(cc1)c1cc[n+](cc1)CCCCCCCCCCCCCC.[I-].[I-]
Properties
Complexity:
458
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
3
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
804.332g/mol
Formal Charge:
0
Heavy Atom Count:
42
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
804.769g/mol
Monoisotopic Mass:
804.332g/mol
Rotatable Bond Count:
27
Topological Polar Surface Area:
7.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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