81290 <common-name>1,2,4,5-Tetrabromo-3,6-bis((pentabromophenoxy)methyl)benzene</common-name> <description nil="true"/> <cas>94441-97-1</cas> <pubchem-id>3024357</pubchem-id> <chemical-formula>C20H4Br14O2</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">2026-04-04T17:43:07Z</created-at> <updated-at type="dateTime">2026-04-04T17:43:07Z</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(Br)C(Br)=C(OCC2=C(Br)C(Br)=C(COC3=C(Br)C(Br)=C(Br)C(Br)=C3Br)C(Br)=C2Br)C(Br)=C1Br</moldb-smiles> <moldb-formula>C20H4Br14O2</moldb-formula> <moldb-inchi>InChI=1S/C20H4Br14O2/c21-5-3(1-35-19-15(31)11(27)9(25)12(28)16(19)32)6(22)8(24)4(7(5)23)2-36-20-17(33)13(29)10(26)14(30)18(20)34/h1-2H2</moldb-inchi> <moldb-inchikey>COCIGRUDDLZNTQ-UHFFFAOYSA-N</moldb-inchikey> <moldb-average-mass type="decimal">1394.906</moldb-average-mass> <moldb-mono-mass type="decimal">1380.87786</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp nil="true"/> <hmdb-id nil="true"/> <chembl-id nil="true"/> <chemspider-id>2290300</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>CHEM077183</chemdb-id> <dsstox-id>DTXSID30241489</dsstox-id> <toxcast-id nil="true"/> <stoff-ident-origin nil="true"/> <stoff-ident-id nil="true"/> <susdat-id>NS00040402</susdat-id> <iupac>1,2,3,4,5-pentabromo-6-[[2,3,5,6-tetrabromo-4-[(2,3,4,5,6-pentabromophenoxy)methyl]phenyl]methoxy]benzene</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"/> </compound>