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Chlorantraniliprole

CAT: 0127-BUP11412-02Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0127-BUP11412-02Size:25 mg
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CAS Number
500008-45-7
Synonyms
Rynaxypyr, Chlorantranilipole, Rynaxpyr
Purity
=95%
Smiles
CNC(=O)c1cc(Cl)cc(C)c1NC(=O)c1cc(Br)nn1-c1ncccc1Cl

Chemical Information

Chlorantraniliprole

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 Number500008-45-7
PubChem CID11271640
IUPAC Name3-bromo-N-[4-chloro-2-methyl-6-(methylcarbamoyl)phenyl]-1-(3-chloro-2-pyridinyl)pyrazole-5-carboxamide
Molecular FormulaC18H14BrCl2N5O2
Molecular Weight483.1
XLogP4.8
Topological Polar Surface Area88.9
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count4
Heavy Atom Count28
Formal Charge0
Complexity586
SMILES
CC1=CC(=CC(=C1NC(=O)C2=CC(=NN2C3=C(C=CC=N3)Cl)Br)C(=O)NC)Cl
InChI
InChI=1S/C18H14BrCl2N5O2/c1-9-6-10(20)7-11(17(27)22-2)15(9)24-18(28)13-8-14(19)25-26(13)16-12(21)4-3-5-23-16/h3-8H,1-2H3,(H,22,27)(H,24,28)
InChIKey
PSOVNZZNOMJUBI-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Chlorantraniliprole
CAS: 500008-45-7
CID: 11271640
Formula: C18H14BrCl2N5O2
MW: 483.1
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight483.1
XLogP34.8
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count4
Exact Mass480.97079
Monoisotopic Mass480.97079
Topological Polar Surface Area88.9 Ų
Heavy Atom Count28
Formal Charge0
Complexity586
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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C8746-500Chlorantraniliprole
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A13214-50Chlorantraniliprole 50mg
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HY-112820R-01Chlorantraniliprole (Standard)

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