290558 <common-name>(2,3,5-trichloro-4,6-dicyanophenyl) 4-methylpentanoate</common-name> <description>(2,3,5-trichloro-4,6-dicyanophenyl) 4-methylpentanoate belongs to the phenol esters, a class of benzenoids within the organic compounds. This compound has the chemical formula C14H11Cl3N2O2 and an average molecular weight of 345.60 g/mol.</description> <cas>73688-95-6</cas> <pubchem-id>3056320</pubchem-id> <chemical-formula>C14H11Cl3N2O2</chemical-formula> <weight>345.6</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">2026-08-28T04:17:41Z</created-at> <updated-at type="dateTime">2026-08-28T04:17:41Z</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)CCC(=O)OC1=C(C(=C(C(=C1Cl)Cl)C#N)Cl)C#N</moldb-smiles> <moldb-formula>C14H11Cl3N2O2</moldb-formula> <moldb-inchi>InChI=1S/C14H11Cl3N2O2/c1-7(2)3-4-10(20)21-14-9(6-19)11(15)8(5-18)12(16)13(14)17/h7H,3-4H2,1-2H3</moldb-inchi> <moldb-inchikey>HHIPYFPMSYNZCU-UHFFFAOYSA-N</moldb-inchikey> <moldb-average-mass type="decimal" nil="true"/> <moldb-mono-mass type="decimal">343.988611</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp>4.6</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>CHEM286451</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>(2,3,5-trichloro-4,6-dicyanophenyl) 4-methylpentanoate</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>Phenol esters</klass> <subklass nil="true"/> <paper-count type="integer" nil="true"/> <sync-id>CED0242169</sync-id> <structure-inchikey>HHIPYFPMSYNZCU-UHFFFAOYSA-N</structure-inchikey> <structure-fingerprint>4000000000000000000080000000000000000000000001400000040000000000000000100000000000040000020000004000000000000000000000000000000000000000000040000000000000000000002000002000010000000000100000000000020001000000000000000000000010020000000000000000000000001000000200004000000000000000000080000000000000000000040000800000000000000000000000000000000008a000000000000000000000000000000000000000000008000000000000000000000000000010000000000040000000000000000000000000000100080000100000000400000000000000000000000800000000</structure-fingerprint> <structure-pattern-fingerprint>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</structure-pattern-fingerprint> <structure-pickle type="binary" encoding="base64">776t3gAAAAAQAAAAAwAAAAAAAAAVAAAAFQAAAIABBgBgAAAAAQMGAGAAAAAD AQYAYAAAAAEDBgBgAAAAAgIGAGAAAAACAgYAKAAAAAMECAAoAAAAAwIIACgA AAADAgZAKAAAAAMEBkAoAAAAAwQGQCgAAAADBAZAKAAAAAMEBkAoAAAAAwQG QCgAAAADBBEAIAAAAAERACAAAAABBgAoAAAAAgQHACgAAAACAxEAIAAAAAEG ACgAAAACBAcAKAAAAAIDCwABAAECAAEDAAMEAAQFAAUGKAIFByAHCCAICWgM CQpoDAoLaAwLDGgMDA1oDA0OAAwPAAsQIBARKAMKEgAJEyATFCgDDQhoDEIB AAAABggNDAsKCRcEAAAAAAAAABY= </structure-pickle> <structure-indexed-at type="dateTime">2026-09-19T05:03:09Z</structure-indexed-at> </compound>