Ketcher 08041608442D 1   1.00000     0.00000     0

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M  END
> <ID>
CHEBI:132921

> <NAME>
clodinafop-propargyl

> <DEFINITION>
A carboxylic ester resulting from the formal condensation of the carboxy group of clodinafop with the hydroxy group of prop-2-yn-1-ol. It is widely used as a herbicide for the control of annual grass weeds in cereal crops.

> <STAR>
3

> <SYNONYM>
prop-2-ynyl (R)-2-[4-(5-chloro-3-fluoro-2-pyridyloxy)phenoxy]propionate; clodinafop propargyl ester; 2-propynyl (2R)-2-[4-[(5-chloro-3-fluoro-2-pyridinyl)oxy]phenoxy]propanoate; (R)-2-(4-((5-chloro-3-fluoro-2-pyridinyl)oxy)phenoxy)propionic acid 2-propynyl ester

> <IUPAC_NAME>
prop-2-yn-1-yl (2R)-2-{4-[(5-chloro-3-fluoropyridin-2-yl)oxy]phenoxy}propanoate

> <BRAND_NAME>
Topik

> <FORMULA>
C17H13ClFNO4

> <MASS>
349.741

> <MONOISOTOPIC_MASS>
349.05171

> <CHARGE>
0

> <SMILES>
C=1C(=C(N=CC1Cl)OC=2C=CC(=CC2)O[C@@H](C(OCC#C)=O)C)F

> <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

> <INCHIKEY>
JBDHZKLJNAIJNC-LLVKDONJSA-N

> <CAS_REGISTRY_NUMBER>
105512-06-9

> <REAXYS_REGISTRY_NUMBER>
8857008

> <CHEMIDPLUS>
105512-06-9

> <PESTICIDES_ACCESSION>
derivatives/clodinafop-propargyl

> <PUBMED_CITATION>
12880264; 16047877; 18605901; 23612716; 24121741; 24502211; 26065513; 26578063

$$$$