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4,4'-Bipyridium, 1,1'-Bis(2-Phosphonoethyl)-, Dichloride

Catalog Number
ACM151538793-1
Product Name
4,4'-Bipyridium, 1,1'-Bis(2-Phosphonoethyl)-, Dichloride
CAS
151538-79-3
Category
Carboxylic acid MOF ligand-dicarboxylic acid MOF ligand
IUPAC Name
2-[4-[1-(2-phosphonoethyl)pyridin-1-ium-4-yl]pyridin-1-ium-1-yl]ethylphosphonic acid;dichloride
Molecular Weight
445.2g/mol
Molecular Formula
C14H20Cl2N2O6P2
InChI
InChI=1S/C14H18N2O6P2.2ClH/c17-23(18,19)11-9-15-5-1-13(2-6-15)14-3-7-16(8-4-14)10-12-24(20,21)22;;/h1-8H,9-12H2,(H2-2,17,18,19,20,21,22);2*1H
InChI Key
PZYQWVWYKLGFIL-UHFFFAOYSA-N
Appearance
dark yellow solid
Complexity
434
Compound Is Canonicalized
Yes
Covalently-Bonded Unit Count
3
Defined Atom Stereocenter Count
0
Defined Bond Stereocenter Count
0
Exact Mass
444.0173657g/mol
Formal Charge
0
Heavy Atom Count
26
Hydrogen Bond Acceptor Count
8
Hydrogen Bond Donor Count
4
Isotope Atom Count
0
Monoisotopic Mass
444.0173657g/mol
Rotatable Bond Count
7
Topological Polar Surface Area
123Ų
Undefined Atom Stereocenter Count
0
Undefined Bond Stereocenter Count
0
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