18140 <common-name>(2E)-2,3-Dibromo-2-butene-1,4-diol</common-name> <description nil="true"/> <cas>21285-46-1</cas> <pubchem-id>641240</pubchem-id> <chemical-formula>C4H6Br2O2</chemical-formula> <weight>245.9</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">2016-05-22T03:52:37Z</created-at> <updated-at type="dateTime">2026-08-22T17:43:06Z</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>OC\C(Br)=C(/Br)CO</moldb-smiles> <moldb-formula>C4H6Br2O2</moldb-formula> <moldb-inchi>InChI=1S/C4H6Br2O2/c5-3(1-7)4(6)2-8/h7-8H,1-2H2/b4-3+</moldb-inchi> <moldb-inchikey>MELXIJRBKWTTJH-ONEGZZNKSA-N</moldb-inchikey> <moldb-average-mass type="decimal">245.898</moldb-average-mass> <moldb-mono-mass type="decimal">243.873455</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp>0.1</logp> <hmdb-id nil="true"/> <chembl-id nil="true"/> <chemspider-id>556543</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>CHEM017035</chemdb-id> <dsstox-id>DTXSID3024942</dsstox-id> <toxcast-id>24942</toxcast-id> <stoff-ident-origin nil="true"/> <stoff-ident-id nil="true"/> <susdat-id>NS00026826</susdat-id> <iupac>(E)-2,3-dibromobut-2-ene-1,4-diol</iupac> <moldb-polar-surface-area>40.46</moldb-polar-surface-area> <moldb-refractivity>39.940599999999996</moldb-refractivity> <moldb-polarizability>15.361157162370995</moldb-polarizability> <moldb-rotatable-bond-count>2</moldb-rotatable-bond-count> <moldb-acceptor-count>2</moldb-acceptor-count> <moldb-donor-count>2</moldb-donor-count> <moldb-pka-strongest-acidic>13.691600218618447</moldb-pka-strongest-acidic> <moldb-pka-strongest-basic>-3.2394235442728645</moldb-pka-strongest-basic> <moldb-physiological-charge>0</moldb-physiological-charge> <moldb-number-of-rings>0</moldb-number-of-rings> <moldb-alogps-logp>0.68</moldb-alogps-logp> <moldb-alogps-logs>-1.19</moldb-alogps-logs> <moldb-alogps-solubility>1.60e+01 g/l</moldb-alogps-solubility> <kingdom>Organic compounds</kingdom> <superklass>Organohalogen compounds</superklass> <klass>Halohydrins</klass> <subklass>Bromohydrins</subklass> <paper-count type="integer">0</paper-count> <sync-id>CED0175480</sync-id> <structure-inchikey>MELXIJRBKWTTJH-ONEGZZNKSA-N</structure-inchikey> <structure-fingerprint>800000000000000000000000000000000002000000008000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000800000000000000000010000000000000000000000000000000000000000000000002000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000001000002000000000000000000000000000000000800000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000</structure-fingerprint> <structure-pattern-fingerprint>100002040000000010000000000001000204004000240040000000044000000000800000000001000080200004200000008c00010000d42000a000008091000000000000000000000062000000000000400000220000000000040100043000000000000800020000402000002000801000002004110800000010000200400000040000000800000008000010100400024400000000000800000000000041200000004000000008000020001002c0000000000800000000000000000000000000040000000000000000000000000002000000400100000000080000000000040000000000000004000000000000000000004000000000000050000000</structure-pattern-fingerprint> <structure-pickle>ï¾­Þ������������������������€���`�������`�������(�����#� ������(�����#� ������`�������`������������������ ���������������B��������������</structure-pickle> <structure-indexed-at type="dateTime">2026-09-19T04:06:51Z</structure-indexed-at> </compound>