1(2H)-Isoquinolinone, 4-bromo-2-methyl-


Chemical Name: 1(2H)-Isoquinolinone, 4-bromo-2-methyl-
CAS Number: 33930-63-1
Product Number: AG003KX9(AGN-PC-0JOTAE)
Synonyms:
MDL No: MFCD00489133
Molecular Formula: C10H8BrNO
Molecular Weight: 238.0806

Identification/Properties


Properties
MP:
129-130℃(Solv: cyclohexane (110-82-7))
BP:
345.8°C at 760 mmHg
Storage:
Keep in dry area;Room Temperature;
Form:
Solid
Computed Properties
Molecular Weight:
238.084g/mol
XLogP3:
1.9
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
1
Rotatable Bond Count:
0
Exact Mass:
236.979g/mol
Monoisotopic Mass:
236.979g/mol
Topological Polar Surface Area:
20.3A^2
Heavy Atom Count:
13
Formal Charge:
0
Complexity:
262
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


GHS Pictogram:
Signal Word:
Warning
UN#:
N/A
Hazard Statements:
H302-H315-H319-H335
Precautionary Statements:
P261-P305+P351+P338
Class:
N/A
Packing Group:
N/A

NMR Spectrum


Other Analytical Data


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