<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <id type="integer">45006</id>
  <title nil="true"/>
  <common-name>Bixafen</common-name>
  <description nil="true"/>
  <cas>581809-46-3</cas>
  <pubchem-id>11434448</pubchem-id>
  <chemical-formula>C18H12Cl2F3N3O</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">2016-06-03T11:25:07Z</created-at>
  <updated-at type="dateTime">2026-03-27T01:28:37Z</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>CN1C=C(C(O)=NC2=C(C=C(F)C=C2)C2=CC(Cl)=C(Cl)C=C2)C(=N1)C(F)F</moldb-smiles>
  <moldb-formula>C18H12Cl2F3N3O</moldb-formula>
  <moldb-inchi>InChI=1S/C18H12Cl2F3N3O/c1-26-8-12(16(25-26)17(22)23)18(27)24-15-5-3-10(21)7-11(15)9-2-4-13(19)14(20)6-9/h2-8,17H,1H3,(H,24,27)</moldb-inchi>
  <moldb-inchikey>LDLMOOXUCMHBMZ-UHFFFAOYSA-N</moldb-inchikey>
  <moldb-average-mass type="decimal">414.21</moldb-average-mass>
  <moldb-mono-mass type="decimal">413.0309519</moldb-mono-mass>
  <origin nil="true"/>
  <state nil="true"/>
  <logp nil="true"/>
  <hmdb-id nil="true"/>
  <chembl-id nil="true"/>
  <chemspider-id>9609314</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>CHEM043901</chemdb-id>
  <dsstox-id>DTXSID6058134</dsstox-id>
  <toxcast-id nil="true"/>
  <stoff-ident-origin>Zweckverband Landeswasserversorgung Langenau</stoff-ident-origin>
  <stoff-ident-id>SI00004187</stoff-ident-id>
  <susdat-id>NS00007333</susdat-id>
  <iupac>N-{3',4'-dichloro-5-fluoro-[1,1'-biphenyl]-2-yl}-3-(difluoromethyl)-1-methyl-1H-pyrazole-4-carboximidic acid</iupac>
</compound>
