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14173-58-1 | Quinoline, 3-bromo-4-nitro-, 1-oxide
CAS No: 14173-58-1 Catalog No: AG001GXZ MDL No:
Product Description
Catalog Number:
AG001GXZ
Chemical Name:
Quinoline, 3-bromo-4-nitro-, 1-oxide
CAS Number:
14173-58-1
Molecular Formula:
C9H5BrN2O3
Molecular Weight:
269.0516
IUPAC Name:
3-bromo-4-nitro-1-oxidoquinolin-1-ium
InChI:
InChI=1S/C9H5BrN2O3/c10-7-5-11(13)8-4-2-1-3-6(8)9(7)12(14)15/h1-5H
InChI Key:
KVCLQGSVAXXXDG-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1c(Br)c[n+](c2c1cccc2)[O-]
Properties
Complexity:
258
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
267.948g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
269.054g/mol
Monoisotopic Mass:
267.948g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
71.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4
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