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101021-33-4 | 2,2'-Bipyridinium, 1-dodecyl-, bromide (1:1)
CAS No: 101021-33-4 Catalog No: AG0003KT MDL No:
Product Description
Catalog Number:
AG0003KT
Chemical Name:
2,2'-Bipyridinium, 1-dodecyl-, bromide (1:1)
CAS Number:
101021-33-4
Molecular Formula:
C22H34BrN2+
Molecular Weight:
406.4228
IUPAC Name:
1-dodecyl-2-pyridin-1-ium-2-ylpyridin-1-ium;dibromide
InChI:
InChI=1S/C22H33N2.2BrH/c1-2-3-4-5-6-7-8-9-10-14-19-24-20-15-12-17-22(24)21-16-11-13-18-23-21;;/h11-13,15-18,20H,2-10,14,19H2,1H3;2*1H/q+1;;/p-1
InChI Key:
FRALTIYMMOYQOK-UHFFFAOYSA-M
SMILES:
CCCCCCCCCCCC[n+]1ccccc1c1cccc[nH+]1.[Br-]
Properties
Complexity:
292
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
3
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
486.107g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
486.336g/mol
Monoisotopic Mass:
484.109g/mol
Rotatable Bond Count:
12
Topological Polar Surface Area:
18A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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