<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <id type="integer">95277</id>
  <title nil="true"/>
  <common-name>Dibromobutenediol</common-name>
  <description>Dibromobutenediol belongs to the vinyl bromides, a subclass of vinyl halides within the organic compounds. This compound has the formula C4H6Br2O2 and an average molecular weight of 245.90 g/mol.</description>
  <cas nil="true"/>
  <pubchem-id>22219093</pubchem-id>
  <chemical-formula>C4H6Br2O2</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">2026-04-05T03:16:52Z</created-at>
  <updated-at type="dateTime">2026-04-05T03:16:52Z</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=CC(Br)C(O)Br</moldb-smiles>
  <moldb-formula>C4H6Br2O2</moldb-formula>
  <moldb-inchi>InChI=1/C4H6Br2O2/c1-2(5)3(6)4(7)8/h2,7-8H,1H3</moldb-inchi>
  <moldb-inchikey>QKKSKKMOIOGASY-UHFFFAOYSA-N</moldb-inchikey>
  <moldb-average-mass type="decimal">245.898</moldb-average-mass>
  <moldb-mono-mass type="decimal">243.8734536</moldb-mono-mass>
  <origin nil="true"/>
  <state nil="true"/>
  <logp nil="true"/>
  <hmdb-id nil="true"/>
  <chembl-id nil="true"/>
  <chemspider-id nil="true"/>
  <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>CHEM091170</chemdb-id>
  <dsstox-id>DTXSID00967083</dsstox-id>
  <toxcast-id nil="true"/>
  <stoff-ident-origin nil="true"/>
  <stoff-ident-id nil="true"/>
  <susdat-id>NS00057226</susdat-id>
  <iupac nil="true"/>
  <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"/>
  <kingdom>Organic compounds</kingdom>
  <superklass>Organohalogen compounds</superklass>
  <klass>Vinyl halides</klass>
  <subklass>Vinyl bromides</subklass>
  <paper-count type="integer">1</paper-count>
  <sync-id>CED0059103</sync-id>
  <structure-inchikey>YAZMRTYGIXWSBY-UHFFFAOYSA-N</structure-inchikey>
  <structure-fingerprint>40000000000000000000000000000000000000000000000200000000100000000000040000000080000000000000000000000000000000000000000000000000000000010000000000000000000000000000000000000200000000800000000000000000010000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000400000000000000000000000000000000000000000000000000800000000400000000000000008000000000000000000000000000000000020000000000000040000000000000000000000000000000000000000000000000000000</structure-fingerprint>
  <structure-pattern-fingerprint>20000000000208000000008000002040000002000400000400440000000008000000002010000a0000004200000000c20010080c42000a000018011000000000000000000000062000000000000400000020004000000080100043000000000000000000000406000002000801000002004110800004010000200400000048000400800000008000010100400024400000000000800000000000041200000004000000008000020001002c00000000008000000000000000000000000000400000000000000000000000000000000004000000000000800000200000c0000010000000004000000000500000010004000000000000051000000</structure-pattern-fingerprint>
  <structure-pickle>ï¾­Þ������������������������€���h��������h��������h��������`�����#� ������`�������`�����#� ������� ��(����������������B��������������</structure-pickle>
  <structure-indexed-at type="dateTime">2026-09-19T04:36:19Z</structure-indexed-at>
</compound>
