90474 <common-name>2-(3-Chloro-4-toluoyl)benzoic acid</common-name> <description>2-(3-Chloro-4-toluoyl)benzoic acid belongs to the benzophenones, a subclass of benzene and substituted derivatives within the organic compounds. This benzenoid compound has the formula C15H11ClO3 and an average molecular weight of 274.70 g/mol.</description> <cas>15254-27-0</cas> <pubchem-id>84851</pubchem-id> <chemical-formula>C15H11ClO3</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">2026-04-05T00:18:59Z</created-at> <updated-at type="dateTime">2026-04-05T00:18:59Z</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=C(Cl)C=C(C=C1)C(=O)C1=CC=CC=C1C(O)=O</moldb-smiles> <moldb-formula>C15H11ClO3</moldb-formula> <moldb-inchi>InChI=1/C15H11ClO3/c1-9-6-7-10(8-13(9)16)14(17)11-4-2-3-5-12(11)15(18)19/h2-8H,1H3,(H,18,19)</moldb-inchi> <moldb-inchikey>UIABSHHBLMGEQI-UHFFFAOYSA-N</moldb-inchikey> <moldb-average-mass type="decimal">274.7</moldb-average-mass> <moldb-mono-mass type="decimal">274.0396719</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>CHEM086367</chemdb-id> <dsstox-id>DTXSID00934533</dsstox-id> <toxcast-id nil="true"/> <stoff-ident-origin nil="true"/> <stoff-ident-id nil="true"/> <susdat-id>NS00051571</susdat-id> <iupac nil="true"/> <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>Benzophenones</subklass> <paper-count type="integer">0</paper-count> <sync-id>CED0121572</sync-id> <structure-inchikey>UIABSHHBLMGEQI-UHFFFAOYSA-N</structure-inchikey> <structure-fingerprint>400000000000000000000000000000000000000000000000000000000000000000000000000000000000100002000004000000000000000080000000000000000010000000400000002000000000000020000000000000000000000000000000000000010000000000000000100000000000000000001000000000000000000000010040000000800000000000000000000000000100000000000000000000000000000000000000000000084100000000020001000000008000000000000000000000000000000000000000010000000010104000002000000200000000000000000000000000000040000000000400000000000000000100000000000000</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">2026-09-19T04:33:16Z</structure-indexed-at> </compound>