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1,1'-bis(2-phosphonoethyl)-[4,4'-bipyridine]-1,1'-diium dichloride

1,1'-bis(2-phosphonoethyl)-[4,4'-bipyridine]-1,1'-diium dichloride

Formula: C14H20Cl2N2O6P2

SMILES: [Cl-].[Cl-].OP(O)(=O)CC[N+]1=CC=C(C=C1)C1=CC=[N+](CCP(O)(O)=O)C=C1

IUPAC: 1,1'-bis(2-phosphonoethyl)-[4,4'-bipyridine]-1,1'-diium dichloride

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

Composition: C (37.77%), H (4.53%), Cl (15.93%), N (6.29%), O (21.56%), P (13.92%)

Molar Mass: 445.17

Atom Count: 46

Heavy Atom Count: 26

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 0
Exact Mass 444.0173658
Formal Charge 0
FSP3 0.29
Hetero Ring Count 2
Hydrogen Bond Acceptor Count 6
Hydrogen Bond Donor Count 4
InChIKey PZYQWVWYKLGFIL-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 89.86
Topological Polar Surface Area 122.82
Polarizability 35.77
Ring Count 2
Rotatable Bond Count 7

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