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88247-36-3 | 4,4'-Bipyridinium, 1-(4-bromobutyl)-1'-methyl-, dichloride
CAS No: 88247-36-3 Catalog No: AG004CU0 MDL No:
Product Description
Catalog Number:
AG004CU0
Chemical Name:
4,4'-Bipyridinium, 1-(4-bromobutyl)-1'-methyl-, dichloride
CAS Number:
88247-36-3
Molecular Formula:
C15H19BrCl2N2
Molecular Weight:
378.1348
IUPAC Name:
1-(4-bromobutyl)-4-(1-methylpyridin-1-ium-4-yl)pyridin-1-ium;dichloride
InChI:
InChI=1S/C15H19BrN2.2ClH/c1-17-10-4-14(5-11-17)15-6-12-18(13-7-15)9-3-2-8-16;;/h4-7,10-13H,2-3,8-9H2,1H3;2*1H/q+2;;/p-2
InChI Key:
FRWYHSZTGFJMAI-UHFFFAOYSA-L
SMILES:
BrCCCC[n+]1ccc(cc1)c1cc[n+](cc1)C.[Cl-].[Cl-]
Properties
Complexity:
219
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
3
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
376.011g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
378.135g/mol
Monoisotopic Mass:
376.011g/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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