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Home > Bromides > 141523-50-4

141523-50-4

141523-50-4 | 4,4'-Bipyridinium, 1,1'-didocosyl-, bromide (1:2)

CAS No: 141523-50-4 Catalog No: AG001GKA MDL No:

Product Description

Catalog Number:
AG001GKA
Chemical Name:
4,4'-Bipyridinium, 1,1'-didocosyl-, bromide (1:2)
CAS Number:
141523-50-4
Molecular Formula:
C54H98Br2N2
Molecular Weight:
935.1773
IUPAC Name:
1-docosyl-4-(1-docosylpyridin-1-ium-4-yl)pyridin-1-ium;dibromide
InChI:
InChI=1S/C54H98N2.2BrH/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-39-41-47-55-49-43-53(44-50-55)54-45-51-56(52-46-54)48-42-40-38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2;;/h43-46,49-52H,3-42,47-48H2,1-2H3;2*1H/q+2;;/p-2
InChI Key:
SWAOIAJEEWQIGL-UHFFFAOYSA-L
SMILES:
CCCCCCCCCCCCCCCCCCCCCC[n+]1ccc(cc1)c1cc[n+](cc1)CCCCCCCCCCCCCCCCCCCCCC.[Br-].[Br-]

Properties

Complexity:
673  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
3  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
934.608g/mol
Formal Charge:
0
Heavy Atom Count:
58  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
935.2g/mol
Monoisotopic Mass:
932.61g/mol
Rotatable Bond Count:
43  
Topological Polar Surface Area:
7.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0

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