287263 <common-name>(2,4-dibromo-6-butan-2-ylphenyl) prop-2-enoate</common-name> <description>(2,4-dibromo-6-butan-2-ylphenyl) prop-2-enoate belongs to the phenol esters, a class of benzenoids within the organic compounds. This compound has the chemical formula C13H14Br2O2 and an average molecular weight of 362.06 g/mol.</description> <cas>215805-85-9</cas> <pubchem-id>66689059</pubchem-id> <chemical-formula>C13H14Br2O2</chemical-formula> <weight>362.06</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">2026-08-27T23:38:35Z</created-at> <updated-at type="dateTime">2026-08-27T23:38:35Z</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>CCC(C)C1=C(C(=CC(=C1)Br)Br)OC(=O)C=C</moldb-smiles> <moldb-formula>C13H14Br2O2</moldb-formula> <moldb-inchi>InChI=1S/C13H14Br2O2/c1-4-8(3)10-6-9(14)7-11(15)13(10)17-12(16)5-2/h5-8H,2,4H2,1,3H3</moldb-inchi> <moldb-inchikey>JSRXZOZKQIYING-UHFFFAOYSA-N</moldb-inchikey> <moldb-average-mass type="decimal" nil="true"/> <moldb-mono-mass type="decimal">359.93605</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp>5.3</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>CHEM283156</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-dibromo-6-butan-2-ylphenyl) prop-2-enoate</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>CED0239045</sync-id> <structure-inchikey>JSRXZOZKQIYING-UHFFFAOYSA-N</structure-inchikey> <structure-fingerprint>40000000000000000000800000000000000000000000000000300000000400020000001002000000000400010000000000000000000000000000000000000a00000000000000000000000000000000000020000020000300000000800000000000000000010000004000000000100000000400000000000100000040000000000000000040004000000000000000000000000000000000000000000000000000008000000000000000000200080000000000000000000000400000000000000000800000000000000000000100040000000000000000000040000000800000000000000000000000000040000000000400080000000000000000000000000000</structure-fingerprint> <structure-pattern-fingerprint>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</structure-pattern-fingerprint> <structure-pickle type="binary" encoding="base64">776t3gAAAAAQAAAAAwAAAAAAAAARAAAAEQAAAIABBgBgAAAAAQMGAGAAAAAC AgYAYAAAAAMBBgBgAAAAAQMGQCgAAAADBAZAKAAAAAMEBkAoAAAAAwQGQGgA AAADAwEGQCgAAAADBAZAaAAAAAMDASMAIAAAAAEjACAAAAABCAAoAAAAAwIG ACgAAAADBAgAKAAAAAMCBgBoAAAAAwMBBgBoAAAAAwICCwABAAECAAIDAAIE AAQFaAwFBmgMBgdoDAcIaAwICWgMCAoABgsABQwgDA0gDQ4oAg0PIA8QKAIJ BGgMQgEAAAAGBAkIBwYFFwQAAAAAAAAAFg== </structure-pickle> <structure-indexed-at type="dateTime">2026-09-19T05:00:41Z</structure-indexed-at> </compound>