1,2-Benzisoxazol-3(2H)-one, 6-fluoro-


Chemical Name: 1,2-Benzisoxazol-3(2H)-one, 6-fluoro-
CAS Number: 99822-24-9
Product Number: AG003W1H(AGN-PC-007G19)
Synonyms:
MDL No:
Molecular Formula: C7H4FNO2
Molecular Weight: 153.1106

Identification/Properties


Properties
MP:
174-175℃
Storage:
Keep in dry area;Room Temperature;
Form:
Solid
Computed Properties
Molecular Weight:
153.112g/mol
XLogP3:
1.2
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
3
Rotatable Bond Count:
0
Exact Mass:
153.023g/mol
Monoisotopic Mass:
153.023g/mol
Topological Polar Surface Area:
38.3A^2
Heavy Atom Count:
11
Formal Charge:
0
Complexity:
185
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-Fluorobenzo[d]isoxazol-3(2H)-one is a highly versatile compound that finds extensive application in chemical synthesis. This compound serves as a valuable building block for the preparation of various complex organic molecules due to its unique chemical reactivity and structural motifs. In the realm of medicinal chemistry, 6-Fluorobenzo[d]isoxazol-3(2H)-one is often employed for the synthesis of pharmaceutical agents with diverse biological activities. Furthermore, its distinct heterocyclic structure offers opportunities for the creation of novel drug candidates and biologically active compounds. With its strategic placement of fluorine and oxygen atoms within the molecule, this compound enables the design and construction of potent molecular entities with enhanced pharmacological properties. Incorporating 6-Fluorobenzo[d]isoxazol-3(2H)-one into chemical synthesis processes has facilitated the development of innovative strategies for the efficient production of valuable compounds with significant applications across various scientific disciplines.