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35272-27-6

35272-27-6 structural image
Product Name: ACIBENZOLAR ACID
Formula: C7H4N2O2S
Synonyms: 1,2,3-Benzothiadiazole-7-carboxylic acid
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CHEMICAL AND PHYSICAL PROPERTIES

Physical Description Water or Solvent Wet Solid

COMPUTED DESCRIPTORS

Molecular Weight 180.19 g/mol
XLogP3 1.4
Hydrogen Bond Donor Count 1
Hydrogen Bond Acceptor Count 5
Rotatable Bond Count 1
Exact Mass 179.99934855 g/mol
Monoisotopic Mass 179.99934855 g/mol
Topological Polar Surface Area 91.3 Ų
Heavy Atom Count 12
Formal Charge 0
Complexity 200
Isotope Atom Count 0
Defined Atom Stereocenter Count 0
Undefined Atom Stereocenter Count 0
Defined Bond Stereocenter Count 0
Undefined Bond Stereocenter Count 0
Covalently-Bonded Unit Count 1
Compound Is Canonicalized Yes

PRODUCT INTRODUCTION

description

1,2,3-benzothiadiazole-7-carboxylic acid is a benzothiadiazole that is acibenzolar-S-methyl in which the thioester group has been hydrolysed to the corresponding carboxylic acid group. The active herbicide of the proherbicide acibenzolar-S-methyl. It has a role as an antifungal agrochemical, a plant activator and a fungicide. It is a benzothiadiazole and an aromatic carboxylic acid.