Chlorantraniliprole (Standard)

Chemical Information
Chlorantraniliprole is a carboxamide resulting from the formal condensation of the carboxylic acid group of 3-bromo-1-(3-chloropyridin-2-yl)-1H-pyrazole-5-carboxylic acid with the primary amino group of 2-amino-5-chloro-N,3-dimethylbenzamide. The first of the anthranilic diamide insecticides, it is a ryanodine receptor activator and is used to protect a wide variety of crops, including corn, cotton, grapes, rice and potatoes. It has a role as a ryanodine receptor agonist. It is a secondary carboxamide, a pyrazole insecticide, a member of pyrazoles, a member of pyridines, an organobromine compound and a member of monochlorobenzenes.
| CAS Number | 500008-45-7 |
| PubChem CID | 11271640 |
| IUPAC Name | 3-bromo-N-[4-chloro-2-methyl-6-(methylcarbamoyl)phenyl]-1-(3-chloro-2-pyridinyl)pyrazole-5-carboxamide |
| Molecular Formula | C18H14BrCl2N5O2 |
| Molecular Weight | 483.1 |
| XLogP | 4.8 |
| Topological Polar Surface Area | 88.9 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 4 |
| Heavy Atom Count | 28 |
| Formal Charge | 0 |
| Complexity | 586 |
| Property | Value |
|---|---|
| Molecular Weight | 483.1 |
| XLogP3 | 4.8 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 4 |
| Exact Mass | 480.97079 |
| Monoisotopic Mass | 480.97079 |
| Topological Polar Surface Area | 88.9 Ų |
| Heavy Atom Count | 28 |
| Formal Charge | 0 |
| Complexity | 586 |
| 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 |
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