1H-Imidazole, 5-chloro-1-methyl-4-nitro-


Chemical Name: 1H-Imidazole, 5-chloro-1-methyl-4-nitro-
CAS Number: 4897-25-0
Product Number: AG003MLS(AGN-PC-03GAC5)
Synonyms:
MDL No:
Molecular Formula: C4H4ClN3O2
Molecular Weight: 161.5465

Identification/Properties


Properties
MP:
148-150 °C(lit.);
BP:
362.3°C at 760 mmHg
Storage:
Inert atmosphere;2-8℃;
Form:
Solid
Refractive Index:
1.5500 (estimate)
Computed Properties
Molecular Weight:
161.545g/mol
XLogP3:
0.3
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
3
Rotatable Bond Count:
0
Exact Mass:
160.999g/mol
Monoisotopic Mass:
160.999g/mol
Topological Polar Surface Area:
63.6A^2
Heavy Atom Count:
10
Formal Charge:
0
Complexity:
148
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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