<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <id type="integer">334148</id>
  <title nil="true"/>
  <common-name>[4-bromo-2-[(e)-[2-(4-chlorophenoxy)propanoylhydrazinylidene]methyl]phenyl] 2-chlorobenzoate</common-name>
  <description>[4-bromo-2-[(e)-[2-(4-chlorophenoxy)propanoylhydrazinylidene]methyl]phenyl] 2-chlorobenzoate is a chemical compound with the formula C23H17BrCl2N2O4. With an average molecular weight of 536.20 g/mol, [4-bromo-2-[(e)-[2-(4-chlorophenoxy)propanoylhydrazinylidene]methyl]phenyl] 2-chlorobenzoate is a heavy molecule.</description>
  <cas>765275-91-0</cas>
  <pubchem-id>45055310</pubchem-id>
  <chemical-formula>C23H17BrCl2N2O4</chemical-formula>
  <weight>536.2</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">2026-08-30T15:44:36Z</created-at>
  <updated-at type="dateTime">2026-08-30T15:44:36Z</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>CC(C(=O)NN=CC1=C(C=CC(=C1)Br)OC(=O)C2=CC=CC=C2Cl)OC3=CC=C(C=C3)Cl</moldb-smiles>
  <moldb-formula>C23H17BrCl2N2O4</moldb-formula>
  <moldb-inchi>InChI=1S/C23H17BrCl2N2O4/c1-14(31-18-9-7-17(25)8-10-18)22(29)28-27-13-15-12-16(24)6-11-21(15)32-23(30)19-4-2-3-5-20(19)26/h2-14H,1H3,(H,28,29)/b27-13+</moldb-inchi>
  <moldb-inchikey>YQQYWZXJNOCXKQ-UVHMKAGCSA-N</moldb-inchikey>
  <moldb-average-mass type="decimal" nil="true"/>
  <moldb-mono-mass type="decimal">533.97487</moldb-mono-mass>
  <origin nil="true"/>
  <state nil="true"/>
  <logp>6.6</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>CHEM330041</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-bromo-2-[(e)-[2-(4-chlorophenoxy)propanoylhydrazinylidene]methyl]phenyl] 2-chlorobenzoate</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>Phenylpropanoids and polyketides</superklass>
  <klass>Depsides and depsidones</klass>
  <subklass nil="true"/>
  <paper-count type="integer" nil="true"/>
  <sync-id>CED0284626</sync-id>
  <structure-inchikey>YQQYWZXJNOCXKQ-UHFFFAOYSA-N</structure-inchikey>
  <structure-fingerprint>40000000100000000000000200000000000040000000000000400080000000000000001000000202200000000002000000000000000000000000000000000000000000000000400400000000000000000020408000000300000204800000000200000000010088000000400080100000000400080000000040820000000000000004002040020000800000000000000084000000000100000000000000000400000000080000000000000000080000000000001001000000000000000000000000000000000000000000000100000080000010000000000040000200000000000000000000000000001040000000000400100000000020000100000000000000</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�	
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�h���h����� �� ��(��� ��h���h���h���h���h��������� ��h���h���h���h���h������h���h���h�B�����	
����������������������������</structure-pickle>
  <structure-indexed-at type="dateTime">2026-09-19T05:36:04Z</structure-indexed-at>
</compound>
