<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <id type="integer">334373</id>
  <title nil="true"/>
  <common-name>4-(3-chloro-4-fluorophenyl)-3-[(4-chloro-3-methylphenoxy)methyl]-5-(4-methoxyphenyl)-1,2,4-triazole</common-name>
  <description>4-(3-chloro-4-fluorophenyl)-3-[(4-chloro-3-methylphenoxy)methyl]-5-(4-methoxyphenyl)-1,2,4-triazole is a chemical compound with the formula C23H18Cl2FN3O2. It has an average molecular weight of 458.30 g/mol.</description>
  <cas>141079-17-6</cas>
  <pubchem-id>3072171</pubchem-id>
  <chemical-formula>C23H18Cl2FN3O2</chemical-formula>
  <weight>458.3</weight>
  <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">2026-08-30T16:02:37Z</created-at>
  <updated-at type="dateTime">2026-08-30T16:02:37Z</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>CC1=C(C=CC(=C1)OCC2=NN=C(N2C3=CC(=C(C=C3)F)Cl)C4=CC=C(C=C4)OC)Cl</moldb-smiles>
  <moldb-formula>C23H18Cl2FN3O2</moldb-formula>
  <moldb-inchi>InChI=1S/C23H18Cl2FN3O2/c1-14-11-18(8-9-19(14)24)31-13-22-27-28-23(15-3-6-17(30-2)7-4-15)29(22)16-5-10-21(26)20(25)12-16/h3-12H,13H2,1-2H3</moldb-inchi>
  <moldb-inchikey>KTIPYVLSGRIECW-UHFFFAOYSA-N</moldb-inchikey>
  <moldb-average-mass type="decimal" nil="true"/>
  <moldb-mono-mass type="decimal">457.0760104</moldb-mono-mass>
  <origin nil="true"/>
  <state nil="true"/>
  <logp>5.9</logp>
  <hmdb-id nil="true"/>
  <chembl-id nil="true"/>
  <chemspider-id nil="true"/>
  <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>CHEM330266</chemdb-id>
  <dsstox-id nil="true"/>
  <toxcast-id nil="true"/>
  <stoff-ident-origin nil="true"/>
  <stoff-ident-id nil="true"/>
  <susdat-id nil="true"/>
  <iupac>4-(3-chloro-4-fluorophenyl)-3-[(4-chloro-3-methylphenoxy)methyl]-5-(4-methoxyphenyl)-1,2,4-triazole</iupac>
  <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>Organoheterocyclic compounds</superklass>
  <klass>Azoles</klass>
  <subklass>Triazoles</subklass>
  <paper-count type="integer" nil="true"/>
  <sync-id>CED0284851</sync-id>
  <structure-inchikey>KTIPYVLSGRIECW-UHFFFAOYSA-N</structure-inchikey>
  <structure-fingerprint>800000000000000000000000000000000080004000800000000000000002200000000002006000000000000000000000400000200000000000000000400000000000000000000002002000000110000200000041000000040000000000010040000000100000900000000100000000000000000000000000000040000000000000004000000000880000010000000000000000000000000000000000000000000000080100000000000004080000000080040800000080000000000000000001000008000000000010010000002000000200000000000000000040008000000040000000000000800000000000000040000000000000</structure-fingerprint>
  <structure-pattern-fingerprint>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</structure-pattern-fingerprint>
  <structure-pickle type="binary" encoding="base64">776t3gAAAAAQAAAAAwAAAAAAAAAfAAAAIgAAAIABBgBgAAAAAQMGQCgAAAAD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</structure-pickle>
  <structure-indexed-at type="dateTime">2026-09-19T05:36:13Z</structure-indexed-at>
</compound>
