CAS 884504-23-8
:5-Fluoro-2-methyl-β-oxobenzenepropanenitrile
Description:
5-Fluoro-2-methyl-β-oxobenzenepropanenitrile, identified by its CAS number 884504-23-8, is a chemical compound that features a complex structure characterized by the presence of a fluorine atom, a methyl group, and a nitrile functional group. This compound is part of the broader class of organic compounds known as nitriles, which are characterized by the presence of a cyano group (-C≡N). The fluorine substitution can influence the compound's reactivity and physical properties, such as solubility and boiling point. The β-oxobenzene structure indicates that it contains a ketone functional group adjacent to a benzene ring, which can contribute to its chemical behavior, including potential reactivity in nucleophilic addition reactions. The presence of both the nitrile and ketone functionalities suggests that this compound may exhibit interesting biological or pharmacological properties, making it a subject of interest in medicinal chemistry and drug development. Overall, the unique combination of functional groups in 5-Fluoro-2-methyl-β-oxobenzenepropanenitrile contributes to its potential applications in various chemical and pharmaceutical contexts.
Formula:C10H8FNO
InChI:InChI=1S/C10H8FNO/c1-7-2-3-8(11)6-9(7)10(13)4-5-12/h2-3,6H,4H2,1H3
InChI key:InChIKey=USIXSQSVSBTIKG-UHFFFAOYSA-N
SMILES:C(CC#N)(=O)C1=C(C)C=CC(F)=C1
Synonyms:- 2-Methyl-5-fluorobenzoylacetonitrile
- 3-(5-Fluoro-2-Methylphenyl)-3-Oxopropanenitrile
- 5-Fluoro-2-methyl-β-oxobenzenepropanenitrile
- Benzenepropanenitrile, 5-Fluoro-2-Methyl-Β-Oxo-
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