2-(5-bromopyridin-2-yl)-2-methylpropanenitrile


Chemical Name: 2-(5-bromopyridin-2-yl)-2-methylpropanenitrile
CAS Number: 871239-58-6
Product Number: AG004KPU(AGN-PC-00C4UN)
Synonyms:
MDL No:
Molecular Formula: C9H9BrN2
Molecular Weight: 225.0852

Identification/Properties


Properties
MP:
90-91℃
BP:
299.7°C at 760 mmHg
Storage:
Keep in dry area;2-8℃;
Form:
Solid
Computed Properties
Molecular Weight:
225.089g/mol
XLogP3:
2.2
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
2
Rotatable Bond Count:
1
Exact Mass:
223.995g/mol
Monoisotopic Mass:
223.995g/mol
Topological Polar Surface Area:
36.7A^2
Heavy Atom Count:
12
Formal Charge:
0
Complexity:
204
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


GHS Pictogram:
Signal Word:
Warning
UN#:
N/A
Hazard Statements:
H302
Precautionary Statements:
P280-P305+P351+P338
Class:
N/A
Packing Group:
N/A

NMR Spectrum


Other Analytical Data


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