<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <id type="integer">286366</id>
  <title nil="true"/>
  <common-name>[4-(4-chlorophenyl)-3-fluorophenyl]boronic acid</common-name>
  <description>[4-(4-chlorophenyl)-3-fluorophenyl]boronic acid belongs to the biphenyls and derivatives, a subclass of benzene and substituted derivatives within the organic compounds. It is a benzenoid with the formula C12H9BClFO2 and an average molecular weight of 250.46 g/mol.</description>
  <cas>1161937-32-1</cas>
  <pubchem-id>145755077</pubchem-id>
  <chemical-formula>C12H9BClFO2</chemical-formula>
  <weight>250.46</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">2026-08-27T22:29:37Z</created-at>
  <updated-at type="dateTime">2026-08-27T22:29:37Z</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>B(C1=CC(=C(C=C1)C2=CC=C(C=C2)Cl)F)(O)O</moldb-smiles>
  <moldb-formula>C12H9BClFO2</moldb-formula>
  <moldb-inchi>InChI=1S/C12H9BClFO2/c14-10-4-1-8(2-5-10)11-6-3-9(13(16)17)7-12(11)15/h1-7,16-17H</moldb-inchi>
  <moldb-inchikey>ACNKRHHIPWFROP-UHFFFAOYSA-N</moldb-inchikey>
  <moldb-average-mass type="decimal" nil="true"/>
  <moldb-mono-mass type="decimal">250.0368155</moldb-mono-mass>
  <origin nil="true"/>
  <state nil="true"/>
  <logp nil="true"/>
  <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>CHEM282259</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-(4-chlorophenyl)-3-fluorophenyl]boronic acid</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>Biphenyls and derivatives</subklass>
  <paper-count type="integer" nil="true"/>
  <sync-id>CED0238172</sync-id>
  <structure-inchikey>ACNKRHHIPWFROP-UHFFFAOYSA-N</structure-inchikey>
  <structure-fingerprint>20000000000000000000000000000000000000020000000000082020000000001000000000000000000008000000000000000000000000010000000000000000000000000400100000000000000000000000000800010000000000000000000000000010080000000000000100000800000000001000000000000000000000000000000020000400010000000000000800000000000000000000000000000000000000000000000000000080000000000000000000000000000000000000000000004000000000000000000000000000010000000000000000200000000000000000000008000000040000000000000800000000000000000000000000000</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�	
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  <structure-indexed-at type="dateTime">2026-09-19T05:00:01Z</structure-indexed-at>
</compound>
