140990 <common-name>Brocrinat</common-name> <description>Brocrinat belongs to the phenoxyacetic acid derivatives, a subclass of benzene and substituted derivatives within the organic compounds. It is classified as a benzenoid with the chemical formula C15H9BrFNO4 and an average molecular weight of 366.14 g/mol.</description> <cas>72481-99-3</cas> <pubchem-id>51603</pubchem-id> <chemical-formula>C15H9BrFNO4</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">2026-04-15T17:11:25Z</created-at> <updated-at type="dateTime">2026-05-14T20:25:35Z</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>DB20124</drugbank-id> <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>OC(=O)COC1=CC=C2C(ON=C2C2=C(F)C=CC=C2)=C1Br</moldb-smiles> <moldb-formula>C15H9BrFNO4</moldb-formula> <moldb-inchi>InChI=1S/C15H9BrFNO4/c16-13-11(21-7-12(19)20)6-5-9-14(18-22-15(9)13)8-3-1-2-4-10(8)17/h1-6H,7H2,(H,19,20)</moldb-inchi> <moldb-inchikey>QWOLGQYXAQSNAE-UHFFFAOYSA-N</moldb-inchikey> <moldb-average-mass type="decimal">366.142</moldb-average-mass> <moldb-mono-mass type="decimal">364.969899</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>CHEM136883</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 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>Phenoxyacetic acid derivatives</subklass> <paper-count type="integer">0</paper-count> <sync-id>CED0161318</sync-id> <structure-inchikey>QWOLGQYXAQSNAE-UHFFFAOYSA-N</structure-inchikey> <structure-fingerprint>800200000000040000000000000000000000000000800000000000000000100000008040002004000000000010001000000000000000000000000000000000000000000000000020802000080110000000800000000000000000010000000000020000000000000000000000000000000080000000000080000000000000800000000000000000000000100100000000000000000000000000000000000000040000080000000000000082082000000000000000000002000000000000000000000100000000000000000000000004400200000000000200000000008000000040000000000400800010000020000000080000000000</structure-fingerprint> <structure-pattern-fingerprint>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</structure-pattern-fingerprint> <structure-pickle type="binary" encoding="base64">776t3gAAAAAQAAAAAwAAAAAAAAAWAAAAGAAAAIABCABoAAAAAwEBBgAoAAAA AwQIACgAAAADAgYAYAAAAAICCAAoAAAAAwIGQCgAAAADBAZAaAAAAAMDAQZA aAAAAAMDAQZAKAAAAAMEBkAoAAAAAwQIQCgAAAADAgdAKAAAAAMDBkAoAAAA AwQGQCgAAAADBAZAKAAAAAMECQAgAAAAAQZAaAAAAAMDAQZAaAAAAAMDAQZA aAAAAAMDAQZAaAAAAAMDAQZAKAAAAAMEIwAgAAAAAQsAASABAigCAQMAAwQA BAUgBQZoDAYHaAwHCGgMCAloDAkKaAwKC2gMCwxoDAwNIA0OaAwODwAOEGgM EBFoDBESaAwSE2gMCRRoDBQVABQFaAwMCGgMEw1oDEIDAAAABgUUCQgHBgUK CQgMCwYOEBESEw0XBAAAAAAAAAAW </structure-pickle> <structure-indexed-at type="dateTime">2026-09-19T04:51:43Z</structure-indexed-at> </compound>