3-Pyridinecarbonitrile,5-bromo-1,6-dihydro-6-oxo-


Chemical Name: 3-Pyridinecarbonitrile,5-bromo-1,6-dihydro-6-oxo-
CAS Number: 19840-44-9
Product Number: AG002BHR(AGN-PC-0QPTN8)
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


GHS Pictogram:
Signal Word:
Warning
UN#:
N/A
Hazard Statements:
H317-H319
Precautionary Statements:
P280-P305+P351+P338
Class:
N/A
Packing Group:
N/A

NMR Spectrum


Other Analytical Data


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