5-acetyl-3-bromo-6-methyl-1H-pyridin-2-one


Chemical Name: 5-acetyl-3-bromo-6-methyl-1H-pyridin-2-one
CAS Number: 136117-46-9
Product Number: AG009DY4(AGN-PC-003QPT)
Synonyms:
MDL No:
Molecular Formula: C8H8BrNO2
Molecular Weight: 230.0586

Identification/Properties


Computed Properties
Molecular Weight:
230.061g/mol
XLogP3:
0.9
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
2
Rotatable Bond Count:
1
Exact Mass:
228.974g/mol
Monoisotopic Mass:
228.974g/mol
Topological Polar Surface Area:
46.2A^2
Heavy Atom Count:
12
Formal Charge:
0
Complexity:
315
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:
N/A
Signal Word:
UN#:
-
Hazard Statements:
-
Precautionary Statements:
Class:
-
Packing Group:
-

NMR Spectrum


Other Analytical Data


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