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CAS 186044-14-4

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4-Nitro-1,2,5-oxadiazole-3-acetic acid

Description:
4-Nitro-1,2,5-oxadiazole-3-acetic acid is a heterocyclic organic compound characterized by its oxadiazole ring, which contains both nitrogen and oxygen atoms. This compound features a nitro group (-NO2) at the 4-position and a carboxylic acid group (-COOH) at the 3-position of the oxadiazole ring, contributing to its acidic properties. It is typically a crystalline solid and is soluble in polar solvents due to the presence of the carboxylic acid group. The nitro group enhances its reactivity, making it useful in various chemical syntheses and applications, including as a potential intermediate in the production of pharmaceuticals and agrochemicals. The compound's unique structure allows for various interactions, including hydrogen bonding, which can influence its solubility and reactivity. Additionally, its stability under standard conditions makes it a suitable candidate for further chemical modifications. Overall, 4-Nitro-1,2,5-oxadiazole-3-acetic acid is notable for its functional groups and potential applications in organic synthesis.
Formula:C4H3N3O5
InChI:InChI=1S/C4H3N3O5/c8-3(9)1-2-4(7(10)11)6-12-5-2/h1H2,(H,8,9)
InChI key:InChIKey=FPOFATNKKIPHTR-UHFFFAOYSA-N
SMILES:C(C(O)=O)C=1C(N(=O)=O)=NON1
Synonyms:
  • 2-(4-Nitro-1,2,5-oxadiazol-3-yl)acetic acid
  • 1,2,5-Oxadiazole-3-acetic acid, 4-nitro-
  • 4-Nitro-1,2,5-oxadiazole-3-acetic acid
  • (4-Nitro-furazan-3-yl)-acetic acid
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