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205052-97-7 | 2,2'-Bipyridine, 6-bromo-4-nitro-, 1-oxide
CAS No: 205052-97-7 Catalog No: AG0029UA MDL No:
Product Description
Catalog Number:
AG0029UA
Chemical Name:
2,2'-Bipyridine, 6-bromo-4-nitro-, 1-oxide
CAS Number:
205052-97-7
Molecular Formula:
C10H6BrN3O3
Molecular Weight:
296.0769
IUPAC Name:
2-bromo-4-nitro-1-oxido-6-pyridin-2-ylpyridin-1-ium
InChI:
InChI=1S/C10H6BrN3O3/c11-10-6-7(14(16)17)5-9(13(10)15)8-3-1-2-4-12-8/h1-6H
InChI Key:
DKAHQFJOSMKPIN-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1cc(Br)[n+](c(c1)c1ccccn1)[O-]
Properties
Complexity:
287
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
294.959g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
296.08g/mol
Monoisotopic Mass:
294.959g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
84.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3
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