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206860-49-3 | Pyridine, 2-bromo-, 1-oxide, hydrobromide (1:1)
CAS No: 206860-49-3 Catalog No: AG002IQE MDL No:MFCD00012803
Product Description
Catalog Number:
AG002IQE
Chemical Name:
Pyridine, 2-bromo-, 1-oxide, hydrobromide (1:1)
CAS Number:
206860-49-3
Molecular Formula:
C5H5Br2NO
Molecular Weight:
254.9073
MDL Number:
MFCD00012803
IUPAC Name:
2-bromo-1-oxidopyridin-1-ium;hydrobromide
InChI:
InChI=1S/C5H4BrNO.BrH/c6-5-3-1-2-4-7(5)8;/h1-4H;1H
InChI Key:
DKUDDLJCRIFJLN-UHFFFAOYSA-N
SMILES:
Brc1cccc[n+]1[O-].Br
Properties
Complexity:
78.8
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
254.872g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
254.909g/mol
Monoisotopic Mass:
252.874g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
25.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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