Isoquinoline, 5-chloro-


Chemical Name: Isoquinoline, 5-chloro-
CAS Number: 5430-45-5
Product Number: AG00D908(AGN-PC-0JND8B)
Synonyms:
MDL No:
Molecular Formula: C9H6ClN
Molecular Weight: 163.6036

Identification/Properties


Properties
MP:
72-73°C
BP:
289.5 °C at 760 mmHg
Storage:
Keep in dry area;Room Temperature;
Form:
Solid
Computed Properties
Molecular Weight:
163.604g/mol
XLogP3:
2.7
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
1
Rotatable Bond Count:
0
Exact Mass:
163.019g/mol
Monoisotopic Mass:
163.019g/mol
Topological Polar Surface Area:
12.9A^2
Heavy Atom Count:
11
Formal Charge:
0
Complexity:
138
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:
H317-H319
Precautionary Statements:
P280-P305+P351+P338
Class:
-
Packing Group:
-

NMR Spectrum


Other Analytical Data


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