O,O-DIMETHYL ALPHA-(2,4-DICHLOROPHENOXYACETOXY)ETHYLPHOSPHONATE

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Source Gaulton A, Kale N, van Westen GJ, Bellis LJ, Bento AP, Davies M, Hersey A, Papadatos G, Forster M, Wege P, Overington JP. A large-scale crop protection bioassay data set. Sci Data. 2015 Jul 7;2:150032. Read more ...

Structure

InChI Key AJFVWUUOJJGGBB-UHFFFAOYSA-N
Smiles COP(=O)(OC)C(C)OC(=O)COc1cc(Cl)ccc1Cl
InChI
InChI=1S/C12H15Cl2O6P/c1-8(21(16,17-2)18-3)20-12(15)7-19-11-6-9(13)4-5-10(11)14/h4-6,8H,7H2,1-3H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C12H15Cl2O6P
Molecular Weight 357.12
AlogP 2.32
Hydrogen Bond Acceptor 6.0
Hydrogen Bond Donor 0.0
Number of Rotational Bond 8.0
Polar Surface Area 80.87
Molecular species None
Aromatic Rings 1.0
Heavy Atoms 21.0
Assay Description Organism Bioactivity Reference
Toxicity against Winter Triticum aestivum (wheat) cultivar Dongmai 12 assessed as grain yield at 525 g ai/h Triticum aestivum 5.8 tons/ha
Toxicity against Winter Triticum aestivum (wheat) cultivar Dongmai 12 assessed as grain yield at 375 g ai/h Triticum aestivum 5.7 tons/ha
Toxicity against Winter Triticum aestivum (wheat) cultivar Dongmai 12 assessed as grain yield at 225 g ai/h Triticum aestivum 5.5 tons/ha
Toxicity against Winter Triticum aestivum (wheat) cultivar Dongmai 12 assessed as grain yield at 75 g ai/h Triticum aestivum 5.3 tons/ha
Toxicity against Winter Triticum aestivum (wheat) cultivar lifeng 703 assessed as grain yield at 525 g ai/h Triticum aestivum 8.2 tons/ha
Toxicity against Winter Triticum aestivum (wheat) cultivar lifeng 703 assessed as grain yield at 375 g ai/h Triticum aestivum 8.2 tons/ha
Toxicity against Winter Triticum aestivum (wheat) cultivar lifeng 703 assessed as grain yield at 225 g ai/h Triticum aestivum 8.1 tons/ha
Toxicity against Winter Triticum aestivum (wheat) cultivar lifeng 703 assessed as grain yield at 75 g ai/h Triticum aestivum 8.2 tons/ha
Toxicity against Winter Triticum aestivum (wheat) cultivar Dongmai 12 assessed as crop injury Triticum aestivum None
Toxicity against Winter Triticum aestivum (wheat) cultivar lifeng 703 assessed as crop injury Triticum aestivum None
Herbicidal activity against Capsella bursa-pastoris in wheat cultivar Dongmai 12 field assessed as decrease in biomass applied during late tillering stage of winter wheatat 375-525 g ai/h measured after 45 days under field trials Capsella bursa-pastoris None
Herbicidal activity against Descurainia sophia in wheat cultivar Dongmai 12 field assessed as decrease in biomass applied during late tillering stage of winter wheat at 375-525 g ai/h measured after 45 days under field trials Descurainia sophia None
Herbicidal activity against Capsella bursa-pastoris in wheat cultivar lifeng 703 field assessed as decrease in biomass applied during late tillering stage of winter wheatat 375-525 g ai/h measured after 45 days under field trials Capsella bursa-pastoris None
Herbicidal activity against Descurainia sophia in wheat cultivar lifeng 703 field assessed as decrease in biomass applied during late tillering stage of winter wheat at 375-525 g ai/h measured after 45 days under field trials Descurainia sophia None
Herbicidal activity against Capsella bursa-pastoris in wheat cultivar Dongmai 12 field assessed as decrease in plant number applied during late tillering stage of winter wheatat 375-525 g ai/h measured after 45 days under field trials Capsella bursa-pastoris None
Herbicidal activity against Descurainia sophia in wheat cultivar Dongmai 12 field assessed as decrease in plant number applied during late tillering stage of winter wheat at 375-525 g ai/h measured after 45 days under field trials Descurainia sophia None
Herbicidal activity against Capsella bursa-pastoris in wheatc ultivar lifeng 703 field assessed as decrease in plant number applied during late tillering stage of winter wheatat 375-525 g ai/h measured after 45 days under field trials Capsella bursa-pastoris None
Herbicidal activity against Descurainia sophia in wheat cultivar lifeng 703 field assessed as decrease in plant number applied during late tillering stage of winter wheat at 375-525 g ai/h measured after 45 days under field trials Descurainia sophia None
Herbicidal activity against Myosoton aquaticum assessed as decrease in biomass treated at four to five-leaf stage measured after 14 days under greenhouse trials Myosoton aquaticum 52.6 gAi/ha
Herbicidal activity against Capsella bursa-pastoris assessed as decrease in biomass treated at 4-5 leaf stage measured after 14 days under greenhouse trials Capsella bursa-pastoris 52.2 gAi/ha
Herbicidal activity against Amaranthus retroflexus assessed as decrease in biomass treated at 4-5 leaf stage measured after 14 days under greenhouse trials Amaranthus retroflexus 70.7 gAi/ha
Herbicidal activity against Descurainia sophia assessed as decrease in biomass treated at 4-5 leaf stage measured after 14 days under greenhouse trials Descurainia sophia 19.2 gAi/ha

Cross References

Resources Reference
ChEMBL CHEMBL2286762
CONTENTS