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Home > Pyridines > 210174-39-3
210174-39-3 | 4,4'-Bipyridinium, 1-ethyl-1'-(2-phosphonoethyl)-, chloride (1:2)
CAS No: 210174-39-3 Catalog No: AG002KMB MDL No:
Product Description
Catalog Number:
AG002KMB
Chemical Name:
4,4'-Bipyridinium, 1-ethyl-1'-(2-phosphonoethyl)-, chloride (1:2)
CAS Number:
210174-39-3
Molecular Formula:
C14H19Cl2N2O3P
Molecular Weight:
365.1920
IUPAC Name:
2-[4-(1-ethylpyridin-1-ium-4-yl)pyridin-1-ium-1-yl]ethylphosphonic acid;dichloride
InChI:
InChI=1S/C14H17N2O3P.2ClH/c1-2-15-7-3-13(4-8-15)14-5-9-16(10-6-14)11-12-20(17,18)19;;/h3-10H,2,11-12H2,1H3;2*1H
InChI Key:
ZHCHRDDCYJUIPJ-UHFFFAOYSA-N
SMILES:
CC[n+]1ccc(cc1)c1cc[n+](cc1)CCP(=O)(O)O.[Cl-].[Cl-]
Properties
Complexity:
331
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
3
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
364.051g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
365.191g/mol
Monoisotopic Mass:
364.051g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
65.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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