Boronic acid, (4-chloro-2-fluoro-5-methoxyphenyl)-


Chemical Name: Boronic acid, (4-chloro-2-fluoro-5-methoxyphenyl)-
CAS Number: 153122-60-2
Product Number: AG007J8C(AGN-PC-0ND1Z2)
Synonyms:
MDL No:
Molecular Formula: C7H7BClFO3
Molecular Weight: 204.3911

Identification/Properties


Computed Properties
Molecular Weight:
204.388g/mol
Hydrogen Bond Donor Count:
2
Hydrogen Bond Acceptor Count:
4
Rotatable Bond Count:
2
Exact Mass:
204.016g/mol
Monoisotopic Mass:
204.016g/mol
Topological Polar Surface Area:
49.7A^2
Heavy Atom Count:
13
Formal Charge:
0
Complexity:
172
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



The (4-Chloro-2-fluoro-5-methoxyphenyl)boronic acid is a versatile and valuable reagent widely used in organic synthesis. It serves as a key building block in the construction of various pharmaceutical compounds, agrochemicals, and materials. This compound plays a crucial role in Suzuki-Miyaura cross-coupling reactions, enabling the formation of complex carbon-carbon bonds with high efficiency and selectivity. Furthermore, it can be employed in the preparation of biaryl structures, heterocycles, and other functionalized organic molecules. Its unique properties make it an essential tool for chemists working in medicinal chemistry, materials science, and other research fields.