4-Bromo-7-chloroisoquinolin-1(2H)-one


Chemical Name: 4-Bromo-7-chloroisoquinolin-1(2H)-one
CAS Number: 1028252-13-2
Product Number: AG007J5W(AGN-PC-0CWLQ5)
Synonyms:
MDL No:
Molecular Formula: C9H5BrClNO
Molecular Weight: 258.4991

Identification/Properties


Computed Properties
Molecular Weight:
258.499g/mol
XLogP3:
2.4
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
1
Rotatable Bond Count:
0
Exact Mass:
256.924g/mol
Monoisotopic Mass:
256.924g/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

Safety Information


GHS Pictogram:
Signal Word:
Warning
UN#:
-
Hazard Statements:
H302-H315-H319
Precautionary Statements:
P261-P302+P352-P305+P351+P338
Class:
-
Packing Group:
-

NMR Spectrum


Other Analytical Data


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