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CAS 5453-86-1

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1,2-Benzisoxazole-3-carboxylic acid, 6-nitro-, methyl ester

Description:
1,2-Benzisoxazole-3-carboxylic acid, 6-nitro-, methyl ester, with the CAS number 5453-86-1, is a chemical compound that features a benzisoxazole core, which is a bicyclic structure containing both benzene and isoxazole rings. This compound is characterized by the presence of a carboxylic acid group and a nitro group at specific positions on the benzisoxazole ring, along with a methyl ester functional group. The nitro group typically imparts significant polarity and can influence the compound's reactivity and solubility. The methyl ester form suggests that the carboxylic acid is in its esterified state, which can enhance lipophilicity and affect biological activity. This compound may be of interest in medicinal chemistry and material science due to its potential applications in pharmaceuticals or as a building block in organic synthesis. Its properties, such as melting point, solubility, and reactivity, would depend on the specific conditions and environment in which it is studied.
Formula:C9H6N2O5
InChI:InChI=1/C9H6N2O5/c1-15-9(12)8-6-3-2-5(11(13)14)4-7(6)16-10-8/h2-4H,1H3
InChI key:InChIKey=RDAMDINPNCIMJD-UHFFFAOYSA-N
SMILES:C(OC)(=O)C=1C=2C(=CC(N(=O)=O)=CC2)ON1
Synonyms:
  • NSC 18904
  • Methyl 6-nitro-1,2-benzisoxazole-3-carboxylate
  • 1,2-Benzisoxazole-3-carboxylic acid, 6-nitro-, methyl ester
  • See more synonyms
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