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113658-06-3 | Pyridinium, 1,1'-(1,3-propanediyl)bis[4-(2-phenylethenyl)-, dibromide (9CI)
CAS No: 113658-06-3 Catalog No: AG00097Y MDL No:
Product Description
Catalog Number:
AG00097Y
Chemical Name:
Pyridinium, 1,1'-(1,3-propanediyl)bis[4-(2-phenylethenyl)-, dibromide (9CI)
CAS Number:
113658-06-3
Molecular Formula:
C29H28Br2N2
Molecular Weight:
564.3540
IUPAC Name:
4-(2-phenylethenyl)-1-[3-[4-(2-phenylethenyl)pyridin-1-ium-1-yl]propyl]pyridin-1-ium;dibromide
InChI:
InChI=1S/C29H28N2.2BrH/c1-3-8-26(9-4-1)12-14-28-16-22-30(23-17-28)20-7-21-31-24-18-29(19-25-31)15-13-27-10-5-2-6-11-27;;/h1-6,8-19,22-25H,7,20-21H2;2*1H/q+2;;/p-2
InChI Key:
HIOQWGSMQFDCOL-UHFFFAOYSA-L
SMILES:
C(C[n+]1ccc(cc1)C=Cc1ccccc1)C[n+]1ccc(cc1)C=Cc1ccccc1.[Br-].[Br-]
Properties
Complexity:
477
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
3
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
564.06g/mol
Formal Charge:
0
Heavy Atom Count:
33
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
564.365g/mol
Monoisotopic Mass:
562.062g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
7.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
2
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