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144205-16-3

144205-16-3 | Pyridinium, 1,1'-(1,2-ethanediyl)bis[3-phenyl-, dibromide (9CI)

CAS No: 144205-16-3 Catalog No: AG001J3Y MDL No:

Product Description

Catalog Number:
AG001J3Y
Chemical Name:
Pyridinium, 1,1'-(1,2-ethanediyl)bis[3-phenyl-, dibromide (9CI)
CAS Number:
144205-16-3
Molecular Formula:
C24H22Br2N2
Molecular Weight:
498.2529
IUPAC Name:
3-phenyl-1-[2-(3-phenylpyridin-1-ium-1-yl)ethyl]pyridin-1-ium;dibromide
InChI:
InChI=1S/C24H22N2.2BrH/c1-3-9-21(10-4-1)23-13-7-15-25(19-23)17-18-26-16-8-14-24(20-26)22-11-5-2-6-12-22;;/h1-16,19-20H,17-18H2;2*1H/q+2;;/p-2
InChI Key:
QAGRQIYVIYPFKV-UHFFFAOYSA-L
SMILES:
c1ccc(cc1)c1ccc[n+](c1)CC[n+]1cccc(c1)c1ccccc1.[Br-].[Br-]

Properties

Complexity:
359  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
3  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
498.013g/mol
Formal Charge:
0
Heavy Atom Count:
28  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
498.262g/mol
Monoisotopic Mass:
496.015g/mol
Rotatable Bond Count:
5  
Topological Polar Surface Area:
7.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0

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