71241 <common-name>2-Chlorodibenz(b,e)oxepin-11(6H)-one</common-name> <description>2-Chlorodibenz(b,e)oxepin-11(6H)-one belongs to the dibenzoxepines, a subclass of benzoxepines within the organic compounds. It is an organoheterocyclic compound with the formula C14H9Cl1O2 and an average molecular weight of 244.67 g/mol.</description> <cas>23560-69-2</cas> <pubchem-id>90163</pubchem-id> <chemical-formula>C14H9Cl1O2</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">2026-04-03T18:23:28Z</created-at> <updated-at type="dateTime">2026-04-03T18:23:28Z</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=CC2=C(OCC3=CC=CC=C3C2=O)C=C1</moldb-smiles> <moldb-formula>C14H9Cl1O2</moldb-formula> <moldb-inchi>InChI=1S/C14H9ClO2/c15-10-5-6-13-12(7-10)14(16)11-4-2-1-3-9(11)8-17-13/h1-7H,8H2</moldb-inchi> <moldb-inchikey>KIEQOHOJVVIDNO-UHFFFAOYSA-N</moldb-inchikey> <moldb-average-mass type="decimal">244.67</moldb-average-mass> <moldb-mono-mass type="decimal">244.029107</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp nil="true"/> <hmdb-id nil="true"/> <chembl-id nil="true"/> <chemspider-id>81396</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>CHEM067134</chemdb-id> <dsstox-id>DTXSID60178153</dsstox-id> <toxcast-id nil="true"/> <stoff-ident-origin nil="true"/> <stoff-ident-id nil="true"/> <susdat-id>NS00027451</susdat-id> <iupac>2-chloro-6H-benzo[c][1]benzoxepin-11-one</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>Benzoxepines</klass> <subklass>Dibenzoxepines</subklass> <paper-count type="integer">1</paper-count> <sync-id>CED0060668</sync-id> <structure-inchikey>KIEQOHOJVVIDNO-UHFFFAOYSA-N</structure-inchikey> <structure-fingerprint>400000000000080000000000000000000000020000000008000080000000000000000400000000000000000000000000000400080000000400000000020800000000000000000000000000000000400000080000010000000100000000000020000000000000080000000000010000000000000800000000000000000000000000100000000080000000000000000000000000000100000080000000000000000000000080000000000000000000000000000000000000000000000000010000008000000040200000000000000000000000000000040000000400004000000000000000000000000000000</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���h� � ��h�B��������������� ����� �������������</structure-pickle> <structure-indexed-at type="dateTime">2026-09-19T04:20:33Z</structure-indexed-at> </compound>