3-Pyridinecarbonitrile, 5-bromo-1,2-dihydro-2-oxo-


Chemical Name: 3-Pyridinecarbonitrile, 5-bromo-1,2-dihydro-2-oxo-
CAS Number: 405224-22-8
Product Number: AG0076N4(AGN-PC-0LXLE7)
Synonyms:
MDL No:
Molecular Formula: C6H3BrN2O
Molecular Weight: 199.0048

Identification/Properties


Computed Properties
Molecular Weight:
199.007g/mol
XLogP3:
0.5
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
2
Rotatable Bond Count:
0
Exact Mass:
197.943g/mol
Monoisotopic Mass:
197.943g/mol
Topological Polar Surface Area:
52.9A^2
Heavy Atom Count:
10
Formal Charge:
0
Complexity:
281
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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