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205052-95-5 | 2,2'-Bipyridine, 6-bromo-, 1-oxide
CAS No: 205052-95-5 Catalog No: AG0029UC MDL No:
Product Description
Catalog Number:
AG0029UC
Chemical Name:
2,2'-Bipyridine, 6-bromo-, 1-oxide
CAS Number:
205052-95-5
Molecular Formula:
C10H7BrN2O
Molecular Weight:
251.0794
IUPAC Name:
2-bromo-1-oxido-6-pyridin-2-ylpyridin-1-ium
InChI:
InChI=1S/C10H7BrN2O/c11-10-6-3-5-9(13(10)14)8-4-1-2-7-12-8/h1-7H
InChI Key:
KPZMLEGUCOXPOA-UHFFFAOYSA-N
SMILES:
Brc1cccc([n+]1[O-])c1ccccn1
Properties
Complexity:
191
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
249.974g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
251.083g/mol
Monoisotopic Mass:
249.974g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
38.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
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