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 acidMolecular Formula
C8H4N2O5Molecular Mass
208.13Cite 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 ) (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