1-(DIMETHOXYPHOSPHORYL)ETHYL 2-(2,4-DIFLUOROPHENOXY)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 JLKWVZVEDXWTOT-UHFFFAOYSA-N
Smiles COP(=O)(OC)C(C)OC(=O)COc1ccc(F)cc1F
InChI
InChI=1S/C12H15F2O6P/c1-8(21(16,17-2)18-3)20-12(15)7-19-11-5-4-9(13)6-10(11)14/h4-6,8H,7H2,1-3H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C12H15F2O6P
Molecular Weight 324.21
AlogP 1.41
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 75.0 %
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 75.0 %
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 75.0 %
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 %
Post-emergence herbicidal activity against Medicago sativa (alfalfa) assessed as growth inhibition at 1.5 ai kg/ha under green house conditions Medicago sativa 49.4 %
Pre-emergence herbicidal activity against Medicago sativa (alfalfa) assessed as growth inhibition at 1.5 ai kg/ha under green house conditions Medicago sativa 52.1 %
Post-emergence herbicidal activity against Amaranthus retroflexus assessed as growth inhibition at 1.5 ai kg/ha under green house conditions Amaranthus retroflexus 77.5 %
Pre-emergence herbicidal activity against Amaranthus retroflexus assessed as growth inhibition at 1.5 ai kg/ha under green house conditions Amaranthus retroflexus 38.9 %
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 61.0 %
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 39.3 %
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 48.5 %
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 73.6 %
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 20.2 %
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 36.0 %
Pre-emergence growth inhibition of Cucumis sativus (cucumber) under green house conditions Cucumis sativus 0.59 ug/g

Cross References

Resources Reference
ChEMBL CHEMBL2227925
PubChem 11688401
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