3-Pyridinecarbonitrile, 5-bromo-1,2-dihydro-4,6-dimethyl-2-oxo-


Chemical Name: 3-Pyridinecarbonitrile, 5-bromo-1,2-dihydro-4,6-dimethyl-2-oxo-
CAS Number: 23819-87-6
Product Number: AG003MIY(AGN-PC-0JVP0T)
Synonyms:
MDL No:
Molecular Formula: C8H7BrN2O
Molecular Weight: 227.0580

Identification/Properties


Properties
MP:
263-266°C
BP:
301°C at 760 mmHg
Storage:
Inert atmosphere;Room Temperature;
Form:
Solid
Computed Properties
Molecular Weight:
227.061g/mol
XLogP3:
0.8
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
2
Rotatable Bond Count:
0
Exact Mass:
225.974g/mol
Monoisotopic Mass:
225.974g/mol
Topological Polar Surface Area:
52.9A^2
Heavy Atom Count:
12
Formal Charge:
0
Complexity:
357
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#:
-
Hazard Statements:
H302
Precautionary Statements:
P280-P305+P351+P338
Class:
-
Packing Group:
-

NMR Spectrum


Other Analytical Data


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