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263874-05-1 | 1H-Imidazolium, 3,3'-(2,6-pyridinediyl)bis[1-methyl-, bromide (1:2)
CAS No: 263874-05-1 Catalog No: AG002SZZ MDL No:
Product Description
Catalog Number:
AG002SZZ
Chemical Name:
1H-Imidazolium, 3,3'-(2,6-pyridinediyl)bis[1-methyl-, bromide (1:2)
CAS Number:
263874-05-1
Molecular Formula:
C13H19Br2N5
Molecular Weight:
405.1315
IUPAC Name:
2,6-bis(3-methylimidazol-3-ium-1-yl)pyridine;dibromide
InChI:
InChI=1S/C13H15N5.2BrH/c1-15-6-8-17(10-15)12-4-3-5-13(14-12)18-9-7-16(2)11-18;;/h3-11H,1-2H3;2*1H/q+2;;/p-2
InChI Key:
VAESRVWVZJLVIA-UHFFFAOYSA-L
SMILES:
C[NH+]1C=CN(C1)c1cccc(n1)N1C=C[NH+](C1)C.[Br-].[Br-]
Properties
Complexity:
259
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
3
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
400.967g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
401.106g/mol
Monoisotopic Mass:
398.969g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
30.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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