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1678-49-5 | Pyridine, 3-bromo-4-nitro-, 1-oxide
CAS No: 1678-49-5 Catalog No: AG001XMJ MDL No:MFCD00085925
Product Description
Catalog Number:
AG001XMJ
Chemical Name:
Pyridine, 3-bromo-4-nitro-, 1-oxide
CAS Number:
1678-49-5
Molecular Formula:
C5H3BrN2O3
Molecular Weight:
218.9929
MDL Number:
MFCD00085925
IUPAC Name:
3-bromo-4-nitro-1-oxidopyridin-1-ium
InChI:
InChI=1S/C5H3BrN2O3/c6-4-3-7(9)2-1-5(4)8(10)11/h1-3H
InChI Key:
YZQMKADIENBVLH-UHFFFAOYSA-N
SMILES:
[O-][n+]1ccc(c(c1)Br)[N+](=O)[O-]
Properties
Complexity:
160
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
217.933g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
218.994g/mol
Monoisotopic Mass:
217.933g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
71.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.4
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