Home Halogens 6-bromo-3-nitroquinoline 1-oxide

6-bromo-3-nitroquinoline 1-oxide

CAS No.:
754990-25-5
Catalog Number:
AG01DIBX
Molecular Formula:
C9H5BrN2O3
Molecular Weight:
269.0516
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Product Description
Catalog Number:
AG01DIBX
Chemical Name:
6-bromo-3-nitroquinoline 1-oxide
CAS Number:
754990-25-5
Molecular Formula:
C9H5BrN2O3
Molecular Weight:
269.0516
MDL Number:
MFCD27928360
IUPAC Name:
6-bromo-3-nitro-1-oxidoquinolin-1-ium
InChI:
InChI=1S/C9H5BrN2O3/c10-7-1-2-9-6(3-7)4-8(12(14)15)5-11(9)13/h1-5H
InChI Key:
WEYVRXWYEJTSFH-UHFFFAOYSA-N
SMILES:
Brc1ccc2c(c1)cc(c[n+]2[O-])[N+](=O)[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:
1.3  
Properties