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CAS 527751-31-1

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4-Chloro-6-fluoro-3-nitro-2H-1-benzopyran-2-one

Description:
4-Chloro-6-fluoro-3-nitro-2H-1-benzopyran-2-one, with the CAS number 527751-31-1, is a synthetic organic compound belonging to the class of benzopyran derivatives. This compound features a benzopyran core, which is characterized by a fused benzene and pyran ring structure. The presence of chlorine, fluorine, and nitro substituents at specific positions on the benzopyran ring significantly influences its chemical properties and reactivity. Typically, such modifications can enhance the compound's biological activity, making it of interest in pharmaceutical research. The nitro group is known for its electron-withdrawing properties, which can affect the compound's acidity and reactivity in various chemical reactions. Additionally, the halogen substituents (chlorine and fluorine) can impart unique characteristics such as increased lipophilicity and potential interactions with biological targets. Overall, this compound's structural features suggest potential applications in medicinal chemistry, particularly in the development of new therapeutic agents. However, specific safety and handling guidelines should be followed due to the presence of halogenated and nitro groups, which may pose health risks.
Formula:C9H3ClFNO4
InChI:InChI=1S/C9H3ClFNO4/c10-7-5-3-4(11)1-2-6(5)16-9(13)8(7)12(14)15/h1-3H
InChI key:InChIKey=HNGGDISWABEPNU-UHFFFAOYSA-N
SMILES:ClC=1C=2C(OC(=O)C1N(=O)=O)=CC=C(F)C2
Synonyms:
  • 2H-1-Benzopyran-2-one, 4-chloro-6-fluoro-3-nitro-
  • 4-Chloro-6-fluoro-3-nitro-2H-1-benzopyran-2-one
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