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151538-81-7 | 4,4'-Bipyridinium, 1,1'-bis(2-phosphonoethyl)-, bromide (1:2)
CAS No: 151538-81-7 Catalog No: AG001NE9 MDL No:
Product Description
Catalog Number:
AG001NE9
Chemical Name:
4,4'-Bipyridinium, 1,1'-bis(2-phosphonoethyl)-, bromide (1:2)
CAS Number:
151538-81-7
Molecular Formula:
C14H20Br2N2O6P2
Molecular Weight:
534.0739
IUPAC Name:
2-[4-[1-(2-phosphonoethyl)pyridin-1-ium-4-yl]pyridin-1-ium-1-yl]ethylphosphonic acid;dibromide
InChI:
InChI=1S/C14H18N2O6P2.2BrH/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:
OXCRGBUROXEYRQ-UHFFFAOYSA-N
SMILES:
OP(=O)(CC[n+]1ccc(cc1)c1cc[n+](cc1)CCP(=O)(O)O)O.[Br-].[Br-]
Properties
Complexity:
434
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
3
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
533.914g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
534.078g/mol
Monoisotopic Mass:
531.916g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
123A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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