3,5-dichloro-1,2-benzoxazole


Chemical Name: 3,5-dichloro-1,2-benzoxazole
CAS Number: 16263-53-9
Product Number: AG007WUI(AGN-PC-00N3V8)
Synonyms:
MDL No:
Molecular Formula: C7H3Cl2NO
Molecular Weight: 188.0108

Identification/Properties


Computed Properties
Molecular Weight:
188.007g/mol
XLogP3:
3.3
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
2
Rotatable Bond Count:
0
Exact Mass:
186.959g/mol
Monoisotopic Mass:
186.959g/mol
Topological Polar Surface Area:
26A^2
Heavy Atom Count:
11
Formal Charge:
0
Complexity:
155
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



3,5-Dichlorobenzo[d]isoxazole is a versatile compound widely used in chemical synthesis for its ability to introduce both chlorine atoms and the isoxazole ring system into various organic molecules. This functional group exhibits strong electron-withdrawing properties, making it valuable in the synthesis of pharmaceuticals, agrochemicals, and materials science. When applied in chemical synthesis, 3,5-Dichlorobenzo[d]isoxazole acts as a building block for creating more complex molecules through various synthetic routes. It can participate in substitution reactions, nucleophilic additions, and cycloaddition reactions to form new carbon-carbon and carbon-heteroatom bonds. Furthermore, the presence of the isoxazole ring in this compound imparts unique reactivity and functionality, allowing for further diversification in synthetic pathways. By incorporating 3,5-Dichlorobenzo[d]isoxazole into target molecules, chemists can access compounds with enhanced biological activity, improved physicochemical properties, or novel structural motifs for drug discovery and material design purposes. Overall, the application of 3,5-Dichlorobenzo[d]isoxazole in chemical synthesis enables chemists to access a diverse range of functionalized compounds with potential applications across various industries.