2-Pyrimidineacetonitrile, 5-bromo-


Chemical Name: 2-Pyrimidineacetonitrile, 5-bromo-
CAS Number: 831203-15-7
Product Number: AG004WD2(AGN-PC-07HAYK)
Synonyms:
MDL No:
Molecular Formula: C6H4BrN3
Molecular Weight: 198.0201

Identification/Properties


Properties
BP:
293.8°C at 760 mmHg
Storage:
Keep in dry area;2-8℃;
Form:
Solid
Computed Properties
Molecular Weight:
198.023g/mol
XLogP3:
0.6
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
3
Rotatable Bond Count:
1
Exact Mass:
196.959g/mol
Monoisotopic Mass:
196.959g/mol
Topological Polar Surface Area:
49.6A^2
Heavy Atom Count:
10
Formal Charge:
0
Complexity:
142
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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