1(2H)-Isoquinolinone, 4-chloro-


Chemical Name: 1(2H)-Isoquinolinone, 4-chloro-
CAS Number: 56241-09-9
Product Number: AG003L7F(AGN-PC-0JWLWT)
Synonyms:
MDL No: MFCD01861859
Molecular Formula: C9H6ClNO
Molecular Weight: 179.6030

Identification/Properties


Properties
MP:
235-237℃ (DEC)
BP:
394.2°C at 760 mmHg
Storage:
Keep in dry area;2-8℃;
Form:
Solid
Computed Properties
Molecular Weight:
179.603g/mol
XLogP3:
1.7
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
1
Rotatable Bond Count:
0
Exact Mass:
179.014g/mol
Monoisotopic Mass:
179.014g/mol
Topological Polar Surface Area:
29.1A^2
Heavy Atom Count:
12
Formal Charge:
0
Complexity:
237
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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