Boronic acid, 4-phenoxathiinyl-


Chemical Name: Boronic acid, 4-phenoxathiinyl-
CAS Number: 100124-07-0
Product Number: AG00010S(AGN-PC-0KK6J8)
Synonyms:
MDL No:
Molecular Formula: C12H9BO3S
Molecular Weight: 244.0741

Identification/Properties


Computed Properties
Molecular Weight:
244.071g/mol
Hydrogen Bond Donor Count:
2
Hydrogen Bond Acceptor Count:
4
Rotatable Bond Count:
1
Exact Mass:
244.037g/mol
Monoisotopic Mass:
244.037g/mol
Topological Polar Surface Area:
75A^2
Heavy Atom Count:
17
Formal Charge:
0
Complexity:
277
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



Phenoxathiin-4-ylboronic acid is a versatile compound widely used in chemical synthesis as a key building block in organic reactions. Its boronic acid group enables it to participate in Suzuki-Miyaura cross-coupling reactions, allowing for the efficient formation of carbon-carbon bonds. This compound is particularly valuable in the synthesis of complex organic molecules and pharmaceuticals due to its ability to facilitate the construction of aryl-aryl linkages. Additionally, Phenoxathiin-4-ylboronic acid can serve as a valuable tool in the development of new materials and the production of fine chemicals, making it an essential component in modern organic chemistry research.