5-Bromo-2-nitro-benzonitrile


Chemical Name: 5-Bromo-2-nitro-benzonitrile
CAS Number: 89642-50-2
Product Number: AG003W38(AGN-PC-0JOY55)
Synonyms:
MDL No:
Molecular Formula: C7H3BrN2O2
Molecular Weight: 227.0149

Identification/Properties


Properties
MP:
117-119℃ (ethanol )
BP:
328.6°C at 760 mmHg
Storage:
Keep in dry area;Room Temperature;
Form:
Solid
Computed Properties
Molecular Weight:
227.017g/mol
XLogP3:
1.7
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
3
Rotatable Bond Count:
0
Exact Mass:
225.938g/mol
Monoisotopic Mass:
225.938g/mol
Topological Polar Surface Area:
69.6A^2
Heavy Atom Count:
12
Formal Charge:
0
Complexity:
229
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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