2H-Pyrido[3,2-b]-1,4-oxazin-3(4H)-one, 6-bromo-


Chemical Name: 2H-Pyrido[3,2-b]-1,4-oxazin-3(4H)-one, 6-bromo-
CAS Number: 337463-88-4
Product Number: AG00CIT9(AGN-PC-03H0K4)
Synonyms:
MDL No: MFCD11101028
Molecular Formula: C7H5BrN2O2
Molecular Weight: 229.0308

Identification/Properties


Computed Properties
Molecular Weight:
229.033g/mol
XLogP3:
1.2
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
3
Rotatable Bond Count:
0
Exact Mass:
227.953g/mol
Monoisotopic Mass:
227.953g/mol
Topological Polar Surface Area:
51.2A^2
Heavy Atom Count:
12
Formal Charge:
0
Complexity:
200
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

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NMR Spectrum


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Chemical Structure



6-Bromo-2H-pyrido[3,2-b][1,4]oxazin-3(4H)-one, also known as $name$, serves as a versatile building block in chemical synthesis due to its unique molecular structure and reactivity. This compound can be utilized in the creation of diverse pharmaceuticals, agrochemicals, and materials through various synthetic pathways. Its bromine functional group allows for selective derivatization and modification to tailor its properties for specific applications. $name$ is particularly valued in the synthesis of heterocyclic compounds and serves as a key intermediate in the preparation of biologically active molecules. Its incorporation in complex organic syntheses enables researchers to access novel chemical entities with potential pharmaceutical significance. The presence of the oxazinone moiety in $name$ introduces structural diversity and reactivity, making it a valuable tool for organic chemists seeking to expand the frontier of chemical synthesis.