295423 <common-name>[2-(4-bromophenyl)-2-oxoethyl] 4-methylbenzenesulfonate</common-name> <description>[2-(4-bromophenyl)-2-oxoethyl] 4-methylbenzenesulfonate belongs to the carbonyl compounds, a subclass of organooxygen compounds within the organic compounds. This compound has the formula C15H13BrO4S and an average molecular weight of 369.20 g/mol. It is further classified as an organic oxygen compound and an organooxygen compound.</description> <cas>98475-05-9</cas> <pubchem-id>4102908</pubchem-id> <chemical-formula>C15H13BrO4S</chemical-formula> <weight>369.2</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">2026-08-28T11:24:47Z</created-at> <updated-at type="dateTime">2026-08-28T11:24:47Z</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=CC=C(C=C1)S(=O)(=O)OCC(=O)C2=CC=C(C=C2)Br</moldb-smiles> <moldb-formula>C15H13BrO4S</moldb-formula> <moldb-inchi>InChI=1S/C15H13BrO4S/c1-11-2-8-14(9-3-11)21(18,19)20-10-15(17)12-4-6-13(16)7-5-12/h2-9H,10H2,1H3</moldb-inchi> <moldb-inchikey>SZJZTKMDYAXLBJ-UHFFFAOYSA-N</moldb-inchikey> <moldb-average-mass type="decimal" nil="true"/> <moldb-mono-mass type="decimal">367.97179</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp>3.7</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>CHEM291316</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>[2-(4-bromophenyl)-2-oxoethyl] 4-methylbenzenesulfonate</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>Organic oxygen compounds</superklass> <klass>Organooxygen compounds</klass> <subklass>Carbonyl compounds</subklass> <paper-count type="integer">1</paper-count> <sync-id>CED0071267</sync-id> <structure-inchikey>SZJZTKMDYAXLBJ-UHFFFAOYSA-N</structure-inchikey> <structure-fingerprint>801400000000000000000000002000002000001000000000000000000001000000020000000000000000000000000000000000000000000000000000000000000000000000000020000000000100001000800000000000000000010000000000000000000000000400020000000000000000000000000000000040000400000000000000000004000000000000000000000000000000000800000000000000000000084000000000000000000000080000000000000000000000000000000000200100004000000000044000002000000200000000000000000100000000000040000000000480000000000000000000080000000000</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���h�B����������������������������</structure-pickle> <structure-indexed-at type="dateTime">2026-09-19T05:06:52Z</structure-indexed-at> </compound>