5-Isoquinolinecarbonitrile


Chemical Name: 5-Isoquinolinecarbonitrile
CAS Number: 27655-41-0
Product Number: AG002UCA(AGN-PC-0JRHJM)
Synonyms:
MDL No:
Molecular Formula: C10H6N2
Molecular Weight: 154.1680

Identification/Properties


Properties
MP:
135 °C
BP:
341.5°C at 760 mmHg
Storage:
Keep in dry area;Room Temperature;
Form:
Solid
Refractive Index:
1.4820 (estimate)
Computed Properties
Molecular Weight:
154.172g/mol
XLogP3:
1.8
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
2
Rotatable Bond Count:
0
Exact Mass:
154.053g/mol
Monoisotopic Mass:
154.053g/mol
Topological Polar Surface Area:
36.7A^2
Heavy Atom Count:
12
Formal Charge:
0
Complexity:
203
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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