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CAS 159768-50-0

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Benzoic acid, 4-fluoro-5-methoxy-2-nitro-, methyl ester

Description:
Benzoic acid, 4-fluoro-5-methoxy-2-nitro-, methyl ester, identified by the CAS number 159768-50-0, is an organic compound characterized by its complex structure, which includes a benzoic acid core modified with various functional groups. This compound features a methoxy group (-OCH3), a nitro group (-NO2), and a fluoro substituent (-F) on the aromatic ring, contributing to its unique chemical properties. It is typically a solid at room temperature and may exhibit moderate solubility in organic solvents. The presence of the nitro group can impart significant reactivity, making it a potential candidate for various chemical reactions, including nucleophilic substitutions. Additionally, the methoxy group can influence the compound's polarity and reactivity. This compound may be of interest in pharmaceutical research and organic synthesis due to its potential biological activity and the presence of multiple functional groups that can be further modified. Safety and handling precautions should be observed, as with many nitro compounds, due to potential toxicity and environmental impact.
Formula:C9H8FNO5
InChI:InChI=1S/C9H8FNO5/c1-15-8-3-5(9(12)16-2)7(11(13)14)4-6(8)10/h3-4H,1-2H3
InChI key:InChIKey=QLBGQKDRKJSSFI-UHFFFAOYSA-N
SMILES:C(OC)(=O)C1=C(N(=O)=O)C=C(F)C(OC)=C1
Synonyms:
  • Methyl 4-fluoro-5-methoxy-2-nitrobenzoate
  • Benzoic acid, 4-fluoro-5-methoxy-2-nitro-, methyl ester
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