<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <id type="integer">67679</id>
  <title nil="true"/>
  <common-name>Dichlorprop butoxyethyl ester</common-name>
  <description>Dichlorprop butoxyethyl ester belongs to the 2-phenoxypropionic acid esters, a subclass of benzene and substituted derivatives within the organic compounds. This benzenoid compound has the chemical formula C15H20Cl2O4 and an average molecular weight of 335.22 g/mol.</description>
  <cas nil="true"/>
  <pubchem-id nil="true"/>
  <chemical-formula>C15H20Cl2O4</chemical-formula>
  <weight nil="true"/>
  <appearance nil="true"/>
  <melting-point nil="true"/>
  <boiling-point nil="true"/>
  <density nil="true"/>
  <solubility nil="true"/>
  <specific-gravity nil="true"/>
  <flash-point nil="true"/>
  <vapour-pressure nil="true"/>
  <route-of-exposure nil="true"/>
  <target nil="true"/>
  <mechanism-of-toxicity nil="true"/>
  <metabolism nil="true"/>
  <toxicity nil="true"/>
  <lethaldose nil="true"/>
  <carcinogenicity nil="true"/>
  <use-source nil="true"/>
  <min-risk-level nil="true"/>
  <health-effects nil="true"/>
  <symptoms nil="true"/>
  <treatment nil="true"/>
  <created-at type="dateTime">2026-04-03T10:22:01Z</created-at>
  <updated-at type="dateTime">2026-04-03T10:22:01Z</updated-at>
  <interacting-proteins nil="true"/>
  <wikipedia nil="true"/>
  <uniprot-id nil="true"/>
  <kegg-compound-id nil="true"/>
  <omim-id nil="true"/>
  <chebi-id nil="true"/>
  <biocyc-id nil="true"/>
  <ctd-id nil="true"/>
  <stitch-id nil="true"/>
  <drugbank-id nil="true"/>
  <pdb-id nil="true"/>
  <actor-id nil="true"/>
  <organism nil="true"/>
  <export type="boolean">true</export>
  <metabolizing-proteins nil="true"/>
  <transporting-proteins nil="true"/>
  <moldb-smiles>CCCCOCCOC(=O)C(C)OC1=C(Cl)C=C(Cl)C=C1</moldb-smiles>
  <moldb-formula>C15H20Cl2O4</moldb-formula>
  <moldb-inchi>InChI=1S/C15H20Cl2O4/c1-3-4-7-19-8-9-20-15(18)11(2)21-14-6-5-12(16)10-13(14)17/h5-6,10-11H,3-4,7-9H2,1-2H3/t11-/m0/s1</moldb-inchi>
  <moldb-inchikey>NCMJQZVNCFTQPG-UHFFFAOY-N</moldb-inchikey>
  <moldb-average-mass type="decimal">335.22</moldb-average-mass>
  <moldb-mono-mass type="decimal">334.073865</moldb-mono-mass>
  <origin nil="true"/>
  <state nil="true"/>
  <logp nil="true"/>
  <hmdb-id nil="true"/>
  <chembl-id nil="true"/>
  <chemspider-id>55881</chemspider-id>
  <structure-image-file-name nil="true"/>
  <structure-image-content-type nil="true"/>
  <structure-image-file-size type="integer" nil="true"/>
  <structure-image-updated-at type="dateTime" nil="true"/>
  <biodb-id nil="true"/>
  <synthesis-reference nil="true"/>
  <structure-image-caption nil="true"/>
  <chemdb-id>CHEM063572</chemdb-id>
  <dsstox-id>DTXSID0041858</dsstox-id>
  <toxcast-id nil="true"/>
  <stoff-ident-origin nil="true"/>
  <stoff-ident-id nil="true"/>
  <susdat-id>NS00022315</susdat-id>
  <iupac nil="true"/>
  <moldb-polar-surface-area nil="true"/>
  <moldb-refractivity nil="true"/>
  <moldb-polarizability nil="true"/>
  <moldb-rotatable-bond-count nil="true"/>
  <moldb-acceptor-count nil="true"/>
  <moldb-donor-count nil="true"/>
  <moldb-pka-strongest-acidic nil="true"/>
  <moldb-pka-strongest-basic nil="true"/>
  <moldb-physiological-charge nil="true"/>
  <moldb-number-of-rings nil="true"/>
  <moldb-alogps-logp nil="true"/>
  <moldb-alogps-logs nil="true"/>
  <moldb-alogps-solubility nil="true"/>
  <kingdom>Organic compounds</kingdom>
  <superklass>Benzenoids</superklass>
  <klass>Benzene and substituted derivatives</klass>
  <subklass>2-phenoxypropionic acid esters</subklass>
  <paper-count type="integer">3</paper-count>
  <sync-id>CED0047538</sync-id>
  <structure-inchikey>NCMJQZVNCFTQPG-UHFFFAOYSA-N</structure-inchikey>
  <structure-fingerprint>40040000000000000000800200000000000010000400000000000080000000000000001002000000000000000002000000000000000000000000000000000000000000000000400000010000000000000020008000001104000200100000000000000020010080000000000000100000000000001000000000000000000000000000000040000000000002000000400000000000000000400000001000000400000000000404000000000000080000000000000000000000000000000000000000000000000000000000000000004000000010000000000000000200000000000000000000000000000040000000010400000000000020000080000000000000</structure-fingerprint>
  <structure-pattern-fingerprint>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</structure-pattern-fingerprint>
  <structure-pickle>ï¾­Þ������������������������€���`�������`�������`�������`������� ������`�������`�������(�������(�������(�������`�������`�������(������@(������@(������� �����@h�������@(������� �����@h�������@h������������������������������ �	(��
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  <structure-indexed-at type="dateTime">2026-09-19T04:17:49Z</structure-indexed-at>
</compound>
