1(2H)-Isoquinolinone, 7-bromo-


Chemical Name: 1(2H)-Isoquinolinone, 7-bromo-
CAS Number: 223671-15-6
Product Number: AG003NDX(AGN-PC-005T8Y)
Synonyms:
MDL No: MFCD01861851
Molecular Formula: C9H6BrNO
Molecular Weight: 224.0540

Identification/Properties


Properties
MP:
248-250 °C
BP:
427.5°C at 760 mmHg
Storage:
Inert atmosphere;Room Temperature;
Form:
Solid
Computed Properties
Molecular Weight:
224.057g/mol
XLogP3:
2
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
1
Rotatable Bond Count:
0
Exact Mass:
222.963g/mol
Monoisotopic Mass:
222.963g/mol
Topological Polar Surface Area:
29.1A^2
Heavy Atom Count:
12
Formal Charge:
0
Complexity:
227
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

Safety Information


NMR Spectrum


Other Analytical Data


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