Clodinafop-Propargyl
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Basic Info
| Common Name | Clodinafop-Propargyl(F05397) |
| 2D Structure | |
| Description | Clodinafop-propargyl is used as a herbicide for weed control in wheat. |
| FRCD ID | F05397 |
| CAS Number | 105512-06-9 |
| PubChem CID | 92431 |
| Formula | C17H13ClFNO4 |
| IUPAC Name | prop-2-ynyl (2R)-2-[4-(5-chloro-3-fluoropyridin-2-yl)oxyphenoxy]propanoate |
| InChI Key | JBDHZKLJNAIJNC-LLVKDONJSA-N |
| InChI | InChI=1S/C17H13ClFNO4/c1-3-8-22-17(21)11(2)23-13-4-6-14(7-5-13)24-16-15(19)9-12(18)10-20-16/h1,4-7,9-11H,8H2,2H3/t11-/m1/s1 |
| Canonical SMILES | CC(C(=O)OCC#C)OC1=CC=C(C=C1)OC2=NC=C(C=C2F)Cl |
| Isomeric SMILES | C[C@H](C(=O)OCC#C)OC1=CC=C(C=C1)OC2=NC=C(C=C2F)Cl |
| Synonyms |
Clodinafop Propargyl
Clodinafop-Propargyl
105512-06-9
Topik
Discover
UNII-QEH394TY6Y
Clodinafop-propargyl [ISO]
HSDB 7007
CGA 184927
C17H13ClFNO4
|
| Classifies |
Pesticide
|
| Update Date | Nov 13, 2018 17:07 |
Chemical Taxonomy
| Kingdom | Organic compounds |
| Superclass | Benzenoids |
| Class | Benzene and substituted derivatives |
| Subclass | 2-phenoxypropionic acid esters |
| Intermediate Tree Nodes | Not available |
| Direct Parent | 2-phenoxypropionic acid esters |
| Alternative Parents |
|
| Molecular Framework | Aromatic heteromonocyclic compounds |
| Substituents | 2-phenoxypropionic acid ester - Diaryl ether - Phenoxyacetate - Phenoxy compound - Phenol ether - Polyhalopyridine - Alkyl aryl ether - Aryl chloride - Aryl fluoride - Aryl halide - Pyridine - Heteroaromatic compound - Carboxylic acid ester - Organoheterocyclic compound - Acetylide - Carboxylic acid derivative - Ether - Monocarboxylic acid or derivatives - Azacycle - Organohalogen compound - Organopnictogen compound - Organic oxide - Organic nitrogen compound - Organic oxygen compound - Organochloride - Organofluoride - Organonitrogen compound - Organooxygen compound - Hydrocarbon derivative - Carbonyl group - Aromatic heteromonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as 2-phenoxypropionic acid esters. These are aromatic compounds hat contain a phenol ether attached to the C2-atom of a phenylpropionic acid ester. |
Properties
| Property Name | Property Value |
|---|---|
| Molecular Weight | 349.742 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 6 |
| Rotatable Bond Count | 7 |
| Complexity | 461 |
| Monoisotopic Mass | 349.052 |
| Exact Mass | 349.052 |
| XLogP | 3.9 |
| Formal Charge | 0 |
| Heavy Atom Count | 24 |
| Defined Atom Stereocenter Count | 1 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| Isotope Atom Count | 0 |
| Covalently-Bonded Unit Count | 1 |
MRLs
| Food | Product Code | Country | MRLs | Application Date | Notes |
|---|---|---|---|---|---|
| Ginkgo Nut | Japan | 0.02ppm | |||
| Other Poultry,Eggs | Japan | 0.05ppm | |||
| Chicken,Eggs | Japan | 0.05ppm | |||
| Other Poultry Animals,Edible Offal | Japan | 0.05ppm | |||
| Chicken,Edible Offal | Japan | 0.05ppm | |||
| Other Poultry Animals,Kidney | Japan | 0.05ppm | |||
| Chicken,Kidney | Japan | 0.05ppm | |||
| Chicken,Liver | Japan | 0.05ppm | |||
| Other Poultry Animals,Fat | Japan | 0.05ppm | |||
| Chicken,Fat | Japan | 0.05ppm | |||
| Other Poultry Animals,Muscle | Japan | 0.05ppm | |||
| Chicken,Muscle | Japan | 0.05ppm | |||
| Milk | Japan | 0.05ppm | |||
| Other Terrestrial Mammals,Edible Offal | Japan | 0.05ppm | |||
| Pig,Edible Offal | Japan | 0.05ppm | |||
| Cattle,Edible Offal | Japan | 0.05ppm | |||
| Other Terrestrial Mammals,Kidney | Japan | 0.05ppm | |||
| Pig,Kidney | Japan | 0.05ppm | |||
| Cattle,Kidney | Japan | 0.05ppm | |||
| Other Terrestrial Mammals,Liver | Japan | 0.05ppm |