Isoquinoline, 5-nitro-


Chemical Name: Isoquinoline, 5-nitro-
CAS Number: 607-32-9
Product Number: AG003MXF(AGN-PC-0JL8SN)
Synonyms:
MDL No:
Molecular Formula: C9H6N2O2
Molecular Weight: 174.1561

Identification/Properties


Properties
MP:
106-109 °C(lit.)
BP:
340.5 °C at 760 mmHg
Storage:
Keep in dry area;Room Temperature;
Form:
Solid
Refractive Index:
1.5651 (estimate)
Computed Properties
Molecular Weight:
174.159g/mol
XLogP3:
1.9
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
3
Rotatable Bond Count:
0
Exact Mass:
174.043g/mol
Monoisotopic Mass:
174.043g/mol
Topological Polar Surface Area:
58.7A^2
Heavy Atom Count:
13
Formal Charge:
0
Complexity:
202
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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