5-Nitro-1,2-benzisoxazole-3-carboxylic acid

CAS Registry Number®

28691-51-2
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CAS Name

5-Nitro-1,2-benzisoxazole-3-carboxylic acid

Molecular Formula

C8H4N2O5

Molecular Mass

208.13

Cite this Page

5-Nitro-1,2-benzisoxazole-3-carboxylic acid.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=28691-51-2 (retrieved 2024-09-06) (CAS RN: 28691-51-2).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    149-152 °C

Source(s)

  • (1) Denotes property values from the ZIC/VINITI data file provided by InfoChem.

Other Names and Identifiers

InChI

InChI=1S/C8H4N2O5/c11-8(12)7-5-3-4(10(13)14)1-2-6(5)15-9-7/h1-3H,(H,11,12)

InChIKey

InChIKey=QUPFSFMHDFHTFT-UHFFFAOYSA-N

SMILES

C(O)(=O)C=1C=2C(ON1)=CC=C(N(=O)=O)C2

Canonical SMILES

O=C(O)C1=NOC=2C=CC(=CC21)N(=O)=O

Other Names for this Substance

  • 1,2-Benzisoxazole-3-carboxylic acid, 5-nitro-
  • 5-Nitro-1,2-benzisoxazole-3-carboxylic acid