1-(DIMETHOXYPHOSPHORYL)ETHYL 2-(3-FLUOROPHENOXY)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 HLAMVPAHUGEXIS-UHFFFAOYSA-N
Smiles COP(=O)(OC)C(C)OC(=O)COc1cccc(F)c1
InChI
InChI=1S/C12H16FO6P/c1-9(20(15,16-2)17-3)19-12(14)8-18-11-6-4-5-10(13)7-11/h4-7,9H,8H2,1-3H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C12H16FO6P
Molecular Weight 306.22
AlogP 1.2
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 20.0
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 112201.85 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 0.0 %
Post-emergence herbicidal activity against Amaranthus retroflexus assessed as growth inhibition at 1.5 ai kg/ha under green house conditions Amaranthus retroflexus 0.0 %
Pre-emergence herbicidal activity against Amaranthus retroflexus assessed as growth inhibition at 1.5 ai kg/ha under green house conditions Amaranthus retroflexus 0.0 %
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 0.0 %
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 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 22.7 %
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 17.8 %
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 4.4 %
Pre-emergence growth inhibition of Cucumis sativus (cucumber) under green house conditions Cucumis sativus 111.13 ug/g

Cross References

Resources Reference
ChEMBL CHEMBL2227923
PubChem 76315032
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