43791 <common-name>2-Ethylhexyl 2,3,4,5-tetrabromobenzoate</common-name> <description nil="true"/> <cas>183658-27-7</cas> <pubchem-id>71316600</pubchem-id> <chemical-formula>C15H18Br4O2</chemical-formula> <weight>549.9</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">2016-06-03T10:05:27Z</created-at> <updated-at type="dateTime">2026-04-17T15:53:43Z</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>CCCCC(CC)COC(=O)C1=CC(Br)=C(Br)C(Br)=C1Br</moldb-smiles> <moldb-formula>C15H18Br4O2</moldb-formula> <moldb-inchi>InChI=1S/C15H18Br4O2/c1-3-5-6-9(4-2)8-21-15(20)10-7-11(16)13(18)14(19)12(10)17/h7,9H,3-6,8H2,1-2H3</moldb-inchi> <moldb-inchikey>HVDXCGSGEQKWGB-UHFFFAOYSA-N</moldb-inchikey> <moldb-average-mass type="decimal">549.923</moldb-average-mass> <moldb-mono-mass type="decimal">545.804032</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp nil="true"/> <hmdb-id nil="true"/> <chembl-id nil="true"/> <chemspider-id>28419925</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>CHEM042686</chemdb-id> <dsstox-id>DTXSID9052686</dsstox-id> <toxcast-id nil="true"/> <stoff-ident-origin>NORMAN list of candidate emerging substance - October 2013</stoff-ident-origin> <stoff-ident-id>SI00000871</stoff-ident-id> <susdat-id>NS00009602</susdat-id> <iupac nil="true"/> <moldb-polar-surface-area>26.3</moldb-polar-surface-area> <moldb-refractivity>100.72270000000003</moldb-refractivity> <moldb-polarizability>41.69963838624503</moldb-polarizability> <moldb-rotatable-bond-count>8</moldb-rotatable-bond-count> <moldb-acceptor-count>1</moldb-acceptor-count> <moldb-donor-count>0</moldb-donor-count> <moldb-pka-strongest-acidic nil="true"/> <moldb-pka-strongest-basic>-6.9555670253036475</moldb-pka-strongest-basic> <moldb-physiological-charge>0</moldb-physiological-charge> <moldb-number-of-rings>1</moldb-number-of-rings> <moldb-alogps-logp>6.99</moldb-alogps-logp> <moldb-alogps-logs>-6.87</moldb-alogps-logs> <moldb-alogps-solubility>7.41e-05 g/l</moldb-alogps-solubility> </compound>