14133 <common-name>Benzene, 1,1'-[1,2-ethanediylbis(oxy)]bis[2,3,4,5,6-pentabromo-</common-name> <description nil="true"/> <cas>61262-53-1</cas> <pubchem-id>91678</pubchem-id> <chemical-formula>C14H4Br10O2</chemical-formula> <weight>1003.2</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">2016-05-19T04:06:29Z</created-at> <updated-at type="dateTime">2026-04-17T17:57:23Z</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(OCCOC2=C(Br)C(Br)=C(Br)C(Br)=C2Br)C(Br)=C1Br</moldb-smiles> <moldb-formula>C14H4Br10O2</moldb-formula> <moldb-inchi>InChI=1S/C14H4Br10O2/c15-3-5(17)9(21)13(10(22)6(3)18)25-1-2-26-14-11(23)7(19)4(16)8(20)12(14)24/h1-2H2</moldb-inchi> <moldb-inchikey>JJEPQBZQAGCZTH-UHFFFAOYSA-N</moldb-inchikey> <moldb-average-mass type="decimal">1003.224</moldb-average-mass> <moldb-mono-mass type="decimal">993.204509</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp nil="true"/> <hmdb-id nil="true"/> <chembl-id nil="true"/> <chemspider-id>82781</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>CHEM013028</chemdb-id> <dsstox-id>DTXSID60886428</dsstox-id> <toxcast-id nil="true"/> <stoff-ident-origin>www.chemicalize.org</stoff-ident-origin> <stoff-ident-id>SI00004930</stoff-ident-id> <susdat-id>NS00009675</susdat-id> <iupac nil="true"/> <moldb-polar-surface-area>18.46</moldb-polar-surface-area> <moldb-refractivity>139.30140000000006</moldb-refractivity> <moldb-polarizability>56.928660189989856</moldb-polarizability> <moldb-rotatable-bond-count>5</moldb-rotatable-bond-count> <moldb-acceptor-count>2</moldb-acceptor-count> <moldb-donor-count>0</moldb-donor-count> <moldb-pka-strongest-acidic nil="true"/> <moldb-pka-strongest-basic>-4.654545891886556</moldb-pka-strongest-basic> <moldb-physiological-charge>0</moldb-physiological-charge> <moldb-number-of-rings>2</moldb-number-of-rings> <moldb-alogps-logp>7.66</moldb-alogps-logp> <moldb-alogps-logs>-7.30</moldb-alogps-logs> <moldb-alogps-solubility>5.04e-05 g/l</moldb-alogps-solubility> </compound>