1-(DIMETHOXYPHOSPHORYL)ETHYL 2-(2,3-DICHLOROPHENOXY)ACETATE

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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 NIWPEXFGHCNURT-UHFFFAOYSA-N
Smiles COP(=O)(OC)C(C)OC(=O)COc1cccc(Cl)c1Cl
InChI
InChI=1S/C12H15Cl2O6P/c1-8(21(16,17-2)18-3)20-11(15)7-19-10-6-4-5-9(13)12(10)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
Post-emergence herbicidal activity against Medicago sativa (alfalfa) assessed as growth inhibition at 1500 ai g/ha after 20 days by green house test Medicago sativa 50.0 %
Post-emergence herbicidal activity against Amaranthus retroflexus assessed as growth inhibition at 1500 ai g/ha after 20 days by green house test Amaranthus retroflexus 50.0 %
Post-emergence herbicidal activity against Brassica rapa subsp. oleifera Si Yue Man assessed as growth inhibition at 1500 ai g/ha after 20 days by green house test Brassica rapa subsp. oleifera 50.0 %
Post-emergence herbicidal activity against Digitaria sanguinalis (hairy crabgrass) assessed as growth inhibition at 1500 ai g/ha after 20 days by green house test Digitaria sanguinalis 50.0 %
Post-emergence herbicidal activity against Echinochloa crus-galli (barnyard grass) assessed as growth inhibition at 1500 ai g/ha after 20 days by green house test Echinochloa crus-galli 50.0 %
Pre-emergence herbicidal activity against Medicago sativa (alfalfa) assessed as growth inhibition at 1500 ai g/ha after 20 days by green house test Medicago sativa 50.0 %
Pre-emergence herbicidal activity against Amaranthus retroflexus assessed as growth inhibition at 1500 ai g/ha after 20 days by green house test Amaranthus retroflexus 50.0 %
Pre-emergence herbicidal activity against Brassica rapa subsp. oleifera Si Yue Man assessed as growth inhibition at 1500 ai g/ha after 20 days by green house test Brassica rapa subsp. oleifera 50.0 %
Pre-emergence herbicidal activity against Digitaria sanguinalis (hairy crabgrass) assessed as growth inhibition at 1500 ai g/ha after 20 days by green house test Digitaria sanguinalis 50.0 %
Pre-emergence herbicidal activity against Echinochloa crus-galli (barnyard grass) assessed as growth inhibition at 1500 ai g/ha after 20 days by green house test Echinochloa crus-galli 50.0 %
Herbicidal activity against Cucumis sativus (cucumber) seeds assessed as inhibition of cucumber root at 28 degC for 3 days with 10 hr of lighting and 14 h in the dark Cucumis sativus 208929.61 nM
Post-emergence herbicidal activity against Medicago sativa (alfalfa) assessed as growth inhibition at 1.5 ai kg/ha under green house conditions Medicago sativa 0.0 %
Pre-emergence herbicidal activity against Medicago sativa (alfalfa) assessed as growth inhibition at 1.5 ai kg/ha under green house conditions Medicago sativa 8.3 %
Post-emergence herbicidal activity against Amaranthus retroflexus assessed as growth inhibition at 1.5 ai kg/ha under green house conditions Amaranthus retroflexus 43.8 %
Pre-emergence herbicidal activity against Amaranthus retroflexus assessed as growth inhibition at 1.5 ai kg/ha under green house conditions Amaranthus retroflexus 16.7 %
Post-emergence herbicidal activity against Brassica napus (oilseed rape) assessed as growth inhibition at 1.5 ai kg/ha under green house conditions Brassica napus 23.3 %
Pre-emergence herbicidal activity against Brassica napus (oilseed rape) assessed as growth inhibition at 1.5 ai kg/ha under green house conditions Brassica napus 0.0 %
Post-emergence herbicidal activity against Digitaria sanguinalis (hairy crabgrass) assessed as growth inhibition at 1.5 ai kg/ha under green house conditions Digitaria sanguinalis 35.5 %
Pre-emergence herbicidal activity against Digitaria sanguinalis (hairy crabgrass) assessed as growth inhibition at 1.5 ai kg/ha under green house conditions Digitaria sanguinalis 0.0 %
Post-emergence herbicidal activity against Echinochloa crus-galli (barnyard grass) assessed as growth inhibition at 1.5 ai kg/ha under green house conditions Echinochloa crus-galli 13.6 %
Pre-emergence herbicidal activity against Echinochloa crus-galli (barnyard grass) assessed as growth inhibition at 1.5 ai kg/ha under green house conditions Echinochloa crus-galli 19.1 %
Pre-emergence growth inhibition of Cucumis sativus (cucumber) under green house conditions Cucumis sativus 74.11 ug/g

Cross References

Resources Reference
ChEMBL CHEMBL2227922
PubChem 76311442
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