<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <id type="integer">75363</id>
  <title nil="true"/>
  <common-name>Boric acid, tri-o-chlorophenyl ester</common-name>
  <description>Boric acid, tri-o-chlorophenyl ester belongs to the phenoxy compounds, a subclass of benzene and substituted derivatives within the organic compounds. This benzenoid compound has the formula C18H12B1Cl3O3 and an average molecular weight of 393.45 g/mol.</description>
  <cas>5337-60-0</cas>
  <pubchem-id>21427</pubchem-id>
  <chemical-formula>C18H12B1Cl3O3</chemical-formula>
  <weight>393.5</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">2026-04-04T03:46:03Z</created-at>
  <updated-at type="dateTime">2026-08-19T22:43:37Z</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>ClC1=CC=CC=C1OB(OC1=CC=CC=C1Cl)OC1=CC=CC=C1Cl</moldb-smiles>
  <moldb-formula>C18H12B1Cl3O3</moldb-formula>
  <moldb-inchi>InChI=1S/C18H12BCl3O3/c20-13-7-1-4-10-16(13)23-19(24-17-11-5-2-8-14(17)21)25-18-12-6-3-9-15(18)22/h1-12H</moldb-inchi>
  <moldb-inchikey>JNEZJAAADKQBBD-UHFFFAOYSA-N</moldb-inchikey>
  <moldb-average-mass type="decimal">393.45</moldb-average-mass>
  <moldb-mono-mass type="decimal">391.994508</moldb-mono-mass>
  <origin nil="true"/>
  <state nil="true"/>
  <logp nil="true"/>
  <hmdb-id nil="true"/>
  <chembl-id nil="true"/>
  <chemspider-id>20138</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>CHEM071256</chemdb-id>
  <dsstox-id>DTXSID40201534</dsstox-id>
  <toxcast-id nil="true"/>
  <stoff-ident-origin nil="true"/>
  <stoff-ident-id nil="true"/>
  <susdat-id>NS00032739</susdat-id>
  <iupac>tris(2-chlorophenyl) borate</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>Benzenoids</superklass>
  <klass>Benzene and substituted derivatives</klass>
  <subklass>Phenoxy compounds</subklass>
  <paper-count type="integer">0</paper-count>
  <sync-id>CED0118137</sync-id>
  <structure-inchikey>JNEZJAAADKQBBD-UHFFFAOYSA-N</structure-inchikey>
  <structure-fingerprint>20000000000000002000001000000000000000000000002000000000000000000010000000000000000000000000000400000000000000000000000000000000100000000000000200000000000000000000000000000000000000000000000000000020000000000000000000000000000800000000000000000000000000100000000000000000000000000000000000000000000080000002400000000000000000000010000000000000000000000000000000000000000000010000000000000000200000000000000000000000000000040000000000000000000000020000000000000000000</structure-fingerprint>
  <structure-pattern-fingerprint>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</structure-pattern-fingerprint>
  <structure-pickle>ï¾­Þ������������������������€��� �����@(������@h�������@h�������@h�������@h�������@(�������(�������(�������(������@(������@h�������@h�������@h�������@h�������@(������� ������(������@(������@h�������@h�������@h�������@h�������@(������� ����������h���h���h���h���h��� ����	�	
 
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  <structure-indexed-at type="dateTime">2026-09-19T04:23:39Z</structure-indexed-at>
</compound>
