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14163-03-2 | 2,2'-Bipyridine, 4-bromo-, 1-oxide
CAS No: 14163-03-2 Catalog No: AG001GPX MDL No:
Product Description
Catalog Number:
AG001GPX
Chemical Name:
2,2'-Bipyridine, 4-bromo-, 1-oxide
CAS Number:
14163-03-2
Molecular Formula:
C10H7BrN2O
Molecular Weight:
251.0794
IUPAC Name:
4-bromo-1-oxido-2-pyridin-2-ylpyridin-1-ium
InChI:
InChI=1S/C10H7BrN2O/c11-8-4-6-13(14)10(7-8)9-3-1-2-5-12-9/h1-7H
InChI Key:
HCTCBELJQDBBDK-UHFFFAOYSA-N
SMILES:
Brc1cc[n+](c(c1)c1ccccn1)[O-]
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:
1.2
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