Benzothiadiazole-7-carboxylic acid

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Systematic / IUPAC Name: 1,2,3-Benzothiadiazole-7-carboxylic acid

ID: Reference13576

Other Names: Acibenzolar acid;
AA-2526

Formula: C7H4N2O2S

Class: Pesticides/Herbicides

Spectral Data

Benzothiadiazole-7-carboxylic acid mass spectral data can be found in a separate interface. The data are manually curated and of the highest quality.

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Available MS Data

Used Instruments Orbitrap ID-X with ETD_Cal Gateshead
No. of Spectral Trees 2
No. of Spectra 503
Tandem Spectra MS1, MS2, MS3
Ionization Methods NSI
Analyzers FT
Last Modification 10/14/2025 8:32:05 AM
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Identificators

InChI InChI=1S/C7H4N2O2S/c10-7(11)4-2-1-3-5-6(4)12-9-8-5/h1-3H,(H,10,11)
InChI Key COAIOOWBEPAOFY-UHFFFAOYSA-N
Canonical SMILES O=C(O)c1cccc2nnsc12
CAS
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Other Names Acibenzolar acid;
AA-2526

In Other Databases

ChEBI CHEBI:141405
ChemSpider 9096354
PubChem 10921109
ChEMBL CHEMBL2228257