4-bromo-6-fluoro-2H-isoquinolin-1-one


Chemical Name: 4-bromo-6-fluoro-2H-isoquinolin-1-one
CAS Number: 1227607-99-9
Product Number: AG000JEF(AGN-PC-07CNBP)
Synonyms:
MDL No:
Molecular Formula: C9H5BrFNO
Molecular Weight: 242.0445

Identification/Properties


Computed Properties
Molecular Weight:
242.047g/mol
XLogP3:
1.8
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
2
Rotatable Bond Count:
0
Exact Mass:
240.954g/mol
Monoisotopic Mass:
240.954g/mol
Topological Polar Surface Area:
29.1A^2
Heavy Atom Count:
13
Formal Charge:
0
Complexity:
266
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
0
Undefined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Covalently-Bonded Unit Count:
1
Compound Is Canonicalized:
Yes

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NMR Spectrum


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