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846038-45-7 | Quinoline, 5-bromo-, 1-oxide
CAS No: 846038-45-7 Catalog No: AG004TSD MDL No:
Product Description
Catalog Number:
AG004TSD
Chemical Name:
Quinoline, 5-bromo-, 1-oxide
CAS Number:
846038-45-7
Molecular Formula:
C9H6BrNO
Molecular Weight:
224.0540
IUPAC Name:
5-bromo-1-oxidoquinolin-1-ium
InChI:
InChI=1S/C9H6BrNO/c10-8-4-1-5-9-7(8)3-2-6-11(9)12/h1-6H
InChI Key:
UBIMLGHWCOSFDK-UHFFFAOYSA-N
SMILES:
Brc1cccc2c1ccc[n+]2[O-]
Properties
Complexity:
165
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
222.963g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
224.057g/mol
Monoisotopic Mass:
222.963g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
25.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4
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