SODIUM 2-(2,4-DICHLOROPHENOXY)ACETATE

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UNII 2H005922RS
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 RFOHRSIAXQACDB-UHFFFAOYSA-M
Smiles [Na+].[O-]C(=O)COc1ccc(Cl)cc1Cl
InChI
InChI=1S/C8H6Cl2O3.Na/c9-5-1-2-7(6(10)3-5)13-4-8(11)12;/h1-3H,4H2,(H,11,12);/q;+1/p-1

Physicochemical Descriptors

Property Name Value
Molecular Formula C8H5Cl2NaO3
Molecular Weight 243.02
AlogP 2.62
Hydrogen Bond Acceptor 3.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 3.0
Polar Surface Area 46.53
Molecular species ACID
Aromatic Rings 1.0
Heavy Atoms 13.0
Assay Description Organism Bioactivity Reference
Growth inhibition of Brassica rapa subsp. oleifera assessed as chlorophyll b level at 3 x 10'-5 M after 7 days Brassica rapa subsp. oleifera 7.32 %
Growth inhibition of Brassica rapa subsp. oleifera assessed as chlorophyll b level at 5 x 10'-5 M after 7 days Brassica rapa subsp. oleifera 4.84 %
Growth inhibition of Brassica rapa subsp. oleifera assessed as chlorophyll b level at 3 x 10'-4 M after 7 days Brassica rapa subsp. oleifera 1.68 %
Growth inhibition of Brassica rapa subsp. oleifera assessed as chlorophyll b level at 1 x 10'-4 M after 7 days Brassica rapa subsp. oleifera 6.1 %
Growth inhibition of Brassica rapa subsp. oleifera assessed as chlorophyll a level at 3 x 10'-5 M after 7 days Brassica rapa subsp. oleifera 17.82 %
Growth inhibition of Brassica rapa subsp. oleifera assessed as chlorophyll a level at 5 x 10'-5 M after 7 days Brassica rapa subsp. oleifera 11.51 %
Growth inhibition of Brassica rapa subsp. oleifera assessed as chlorophyll a level at 1 x 10'-4 M after 7 days Brassica rapa subsp. oleifera 12.57 %
Growth inhibition of Brassica rapa subsp. oleifera assessed as chlorophyll a level at 3 x 10'-4 M after 7 days Brassica rapa subsp. oleifera 3.16 %
Growth inhibition of Brassica rapa subsp. oleifera assessed as total chlorophyll level at 5 x 10'-5 M after 7 days Brassica rapa subsp. oleifera 16.35 %
Growth inhibition of Brassica rapa subsp. oleifera assessed as total chlorophyll level at 3 x 10'-5 M after 7 days Brassica rapa subsp. oleifera 25.12 %
Growth inhibition of Brassica rapa subsp. oleifera assessed as total chlorophyll level at 1 x 10'-4 M after 7 days Brassica rapa subsp. oleifera 18.67 %
Growth inhibition of Brassica rapa subsp. oleifera assessed as total chlorophyll level at 3 x 10'-4 M after 7 days Brassica rapa subsp. oleifera 4.82 %
Growth inhibition of Brassica rapa subsp. oleifera assessed as root growth at 3 x 10'-5 M after 7 days Brassica rapa subsp. oleifera 3.3 mm
Growth inhibition of Brassica rapa subsp. oleifera assessed as root growth at 5 x 10'-5 M after 7 days Brassica rapa subsp. oleifera 3.1 mm
Growth inhibition of Brassica rapa subsp. oleifera assessed as root growth at 1 x 10'-4 M after 7 days Brassica rapa subsp. oleifera 2.6 mm
Growth inhibition of Brassica rapa subsp. oleifera assessed as root growth at 3 x 10'-4 M after 7 days Brassica rapa subsp. oleifera 2.1 mm
Herbicidal activity against Capsella bursa-pastoris assessed as weed control at 0.02 M measured after 30 days of treatment relative to control Capsella bursa-pastoris 100.0 %
Herbicidal activity against Capsella bursa-pastoris assessed as weed control at 0.01 M measured after 30 days of treatment relative to control Capsella bursa-pastoris 100.0 %
Herbicidal activity against Capsella bursa-pastoris assessed as weed control at 0.02 M measured after 6 days of treatment relative to control Capsella bursa-pastoris 55.0 %
Herbicidal activity against Capsella bursa-pastoris assessed as weed control at 0.01 M measured after 6 days of treatment relative to control Capsella bursa-pastoris 28.0 %
Herbicidal activity against Thlaspi arvense assessed as weed control at 0.02 M measured after 30 days of treatment relative to control Thlaspi arvense 100.0 %
Herbicidal activity against Thlaspi arvense assessed as weed control at 0.01 M measured after 30 days of treatment relative to control Thlaspi arvense 100.0 %
Herbicidal activity against Thlaspi arvense assessed as weed control at 0.02 M measured after 6 days of treatment relative to control Thlaspi arvense 48.0 %
Herbicidal activity against Thlaspi arvense assessed as weed control at 0.01 M measured after 6 days of treatment relative to control Thlaspi arvense 31.0 %
Herbicidal activity against Chenopodium album assessed as weed control at 0.02 M measured after 30 days of treatment relative to control Chenopodium album 75.0 %
Herbicidal activity against Chenopodium album assessed as weed control at 0.01 M measured after 30 days of treatment relative to control Chenopodium album 25.0 %
Herbicidal activity against Chenopodium album assessed as weed control at 0.02 M measured after 6 days of treatment relative to control Chenopodium album 60.0 %
Herbicidal activity against Chenopodium album assessed as weed control at 0.01 M measured after 6 days of treatment relative to control Chenopodium album 55.0 %

Cross References

Resources Reference
ChEMBL CHEMBL2271245
FDA SRS 2H005922RS
PubChem 23676704
SureChEMBL SCHEMBL583961
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