56852 <common-name>(-)alpha-hexabromocyclododecane</common-name> <description nil="true"/> <cas>134237-50-6</cas> <pubchem-id>11763618</pubchem-id> <chemical-formula>C12H18Br6</chemical-formula> <weight>641.7</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">2016-11-21T20:30:14Z</created-at> <updated-at type="dateTime">2026-04-16T22:47:07Z</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>Br[C@H]1CC[C@@H](Br)[C@H](Br)CC[C@H](Br)[C@H](Br)CC[C@H]1Br</moldb-smiles> <moldb-formula>C12H18Br6</moldb-formula> <moldb-inchi>InChI=1S/C12H18Br6/c13-7-1-2-8(14)10(16)5-6-12(18)11(17)4-3-9(7)15/h7-12H,1-6H2/t7-,8-,9+,10+,11-,12-/m1/s1</moldb-inchi> <moldb-inchikey>DEIGXXQKDWULML-PQTSNVLCSA-N</moldb-inchikey> <moldb-average-mass type="decimal">641.7</moldb-average-mass> <moldb-mono-mass type="decimal">635.650879</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp nil="true"/> <hmdb-id nil="true"/> <chembl-id nil="true"/> <chemspider-id>9938313</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>CHEM055747</chemdb-id> <dsstox-id>DTXSID00873771</dsstox-id> <toxcast-id nil="true"/> <stoff-ident-origin nil="true"/> <stoff-ident-id nil="true"/> <susdat-id>NS00076980</susdat-id> <iupac nil="true"/> <moldb-polar-surface-area>0.0</moldb-polar-surface-area> <moldb-refractivity>100.51199999999997</moldb-refractivity> <moldb-polarizability>41.21976131359861</moldb-polarizability> <moldb-rotatable-bond-count>0</moldb-rotatable-bond-count> <moldb-acceptor-count>0</moldb-acceptor-count> <moldb-donor-count>0</moldb-donor-count> <moldb-pka-strongest-acidic nil="true"/> <moldb-pka-strongest-basic nil="true"/> <moldb-physiological-charge>0</moldb-physiological-charge> <moldb-number-of-rings>1</moldb-number-of-rings> <moldb-alogps-logp>6.45</moldb-alogps-logp> <moldb-alogps-logs>-6.96</moldb-alogps-logs> <moldb-alogps-solubility>7.07e-05 g/l</moldb-alogps-solubility> <kingdom>Organic compounds</kingdom> <superklass>Organohalogen compounds</superklass> <klass>Organobromides</klass> <subklass nil="true"/> <paper-count type="integer">25</paper-count> <sync-id>CED0028079</sync-id> <structure-inchikey>DEIGXXQKDWULML-PQTSNVLCSA-N</structure-inchikey> <structure-fingerprint>4000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000800000000000000000000000000000000000000000000000020000000000000000000000100000000000000000000000000000000000000000080000000000100000000000000000000004000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000100000</structure-fingerprint> <structure-pattern-fingerprint>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</structure-pattern-fingerprint> <structure-pickle>ï¾­Þ������������������������€�#� ����� 4��������`�������`������ 4������#� ����� 4������#� ������`�������`������ 4������#� ����� 4������#� ������`�������`������ 4������#� ������������������������������ � � �� ��� ����������������B���������� ���������������</structure-pickle> <structure-indexed-at type="dateTime">2026-09-19T04:14:03Z</structure-indexed-at> </compound>