77685 <common-name>4,4'-(Hexane-1,6-diylbis(oxy))bis(3-bromobenzonitrile)</common-name> <description>4,4'-(Hexane-1,6-diylbis(oxy))bis(3-bromobenzonitrile) belongs to the phenol ethers, a class of benzenoids within the organic compounds. This compound has the chemical formula C20H18Br2N2O2 and an average molecular weight of 478.18 g/mol.</description> <cas>65693-92-7</cas> <pubchem-id>6455178</pubchem-id> <chemical-formula>C20H18Br2N2O2</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">2026-04-04T10:17:38Z</created-at> <updated-at type="dateTime">2026-04-04T10:17:38Z</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>BrC1=C(OCCCCCCOC2=C(Br)C=C(C=C2)C#N)C=CC(=C1)C#N</moldb-smiles> <moldb-formula>C20H18Br2N2O2</moldb-formula> <moldb-inchi>InChI=1S/C20H18Br2N2O2/c21-17-11-15(13-23)5-7-19(17)25-9-3-1-2-4-10-26-20-8-6-16(14-24)12-18(20)22/h5-8,11-12H,1-4,9-10H2</moldb-inchi> <moldb-inchikey>VDHFAPUSOGNRCA-UHFFFAOYSA-N</moldb-inchikey> <moldb-average-mass type="decimal">478.184</moldb-average-mass> <moldb-mono-mass type="decimal">475.973504</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp nil="true"/> <hmdb-id nil="true"/> <chembl-id nil="true"/> <chemspider-id>4957453</chemspider-id> <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>CHEM073578</chemdb-id> <dsstox-id>DTXSID60215911</dsstox-id> <toxcast-id nil="true"/> <stoff-ident-origin nil="true"/> <stoff-ident-id nil="true"/> <susdat-id>NS00035900</susdat-id> <iupac>3-bromo-4-[6-(2-bromo-4-cyanophenoxy)hexoxy]benzonitrile</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 ethers</klass> <subklass nil="true"/> <paper-count type="integer">0</paper-count> <sync-id>CED0126616</sync-id> <structure-inchikey>VDHFAPUSOGNRCA-UHFFFAOYSA-N</structure-inchikey> <structure-fingerprint>40000000000200000800202000000000000000000000000000000000000000000000000004000000000000000000000000000000000000000000000000000000000000000000000000000040000000000000020000100000000800000000000000200000000004000000000100000000000000000000000000000000000000000000000000000000000000000810000000000000000000000000040000000000000000000000000000000088200000000000000080000000000000002000000000000000000000000000100000000000000000000000000000200000000000000000000000000000040000000010000000000200021000000000000000000</structure-fingerprint> <structure-pattern-fingerprint>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</structure-pattern-fingerprint> <structure-pickle type="binary" encoding="base64">776t3gAAAAAQAAAAAwAAAAAAAAAaAAAAGwAAAIABIwAgAAAAAQZAKAAAAAME BkAoAAAAAwQIACgAAAADAgYAYAAAAAICBgBgAAAAAgIGAGAAAAACAgYAYAAA AAICBgBgAAAAAgIGAGAAAAACAggAKAAAAAMCBkAoAAAAAwQGQCgAAAADBCMA IAAAAAEGQGgAAAADAwEGQCgAAAADBAZAaAAAAAMDAQZAaAAAAAMDAQYAKAAA AAIEBwAoAAAAAgMGQGgAAAADAwEGQGgAAAADAwEGQCgAAAADBAZAaAAAAAMD AQYAKAAAAAIEBwAoAAAAAgMLAAEAAQJoDAIDIAMEAAQFAAUGAAYHAAcIAAgJ AAkKAAoLIAsMaAwMDQAMDmgMDg9oDA8QaAwQEWgMDxIgEhMoAwIUaAwUFWgM FRZoDBYXaAwWGCAYGSgDFwFoDBELaAxCAgAAAAYBFxYVFAIGDA4PEBELFwQA AAAAAAAAFg== </structure-pickle> <structure-indexed-at type="dateTime">2026-09-19T04:25:20Z</structure-indexed-at> </compound>