102953 <common-name>Zirconium(2+) bis[2-(2,4,5,7-tetrabromo-3,6-dihydroxyxanthen-9-yl)-3,4,5,6-tetrachlorobenzoate]</common-name> <description>Zirconium(2+) bis[2-(2,4,5,7-tetrabromo-3,6-dihydroxyxanthen-9-yl)-3,4,5,6-tetrachlorobenzoate] belongs to the 1-benzopyrans, a subclass of benzopyrans within the organic compounds. It is classified as an organoheterocyclic compound with the formula C20H6Br4Cl4O5. With an average molecular weight of 1,665 g/mol, Zirconium(2+) bis[2-(2,4,5,7-tetrabromo-3,6-dihydroxyxanthen-9-yl)-3,4,5,6-tetrachlorobenzoate] is a heavy molecule.</description> <cas>97235-50-2</cas> <pubchem-id>44149040</pubchem-id> <chemical-formula>C20H6Br4Cl4O5</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">2026-04-05T10:07:25Z</created-at> <updated-at type="dateTime">2026-04-05T10:07:25Z</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>[Zr++].OC1=C(Br)C=C2C(C3=CC(Br)=C(O)C(Br)=C3OC2=C1Br)C1=C(C([O-])=O)C(Cl)=C(Cl)C(Cl)=C1Cl.OC1=C(Br)C=C2C(C3=CC(Br)=C(O)C(Br)=C3OC2=C1Br)C1=C(C([O-])=O)C(Cl)=C(Cl)C(Cl)=C1Cl</moldb-smiles> <moldb-formula>C20H6Br4Cl4O5</moldb-formula> <moldb-inchi>InChI=1/2C20H6Br4Cl4O5.Zr/c2*21-5-1-3-7(8-9(20(31)32)13(26)15(28)14(27)12(8)25)4-2-6(22)17(30)11(24)19(4)33-18(3)10(23)16(5)29;/h2*1-2,7,29-30H,(H,31,32);/q;;+2/p-2</moldb-inchi> <moldb-inchikey>DZDXJOBGMZGIDY-UHFFFAOYSA-L</moldb-inchikey> <moldb-average-mass type="decimal">1664.57</moldb-average-mass> <moldb-mono-mass type="decimal">781.5702824</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>CHEM098846</chemdb-id> <dsstox-id>DTXSID20242804</dsstox-id> <toxcast-id nil="true"/> <stoff-ident-origin nil="true"/> <stoff-ident-id nil="true"/> <susdat-id>NS00066497</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>Organoheterocyclic compounds</superklass> <klass>Benzopyrans</klass> <subklass>1-benzopyrans</subklass> <paper-count type="integer">0</paper-count> <sync-id>CED0090870</sync-id> <structure-inchikey>DZDXJOBGMZGIDY-UHFFFAOYSA-L</structure-inchikey> <structure-fingerprint>200000000000000000000000000000000000000000000000000000000100000000000000000000000000000000400000200000000000002020800000000000001000800000000000000000110000004400000000100002000000000000000000000000000010101000000000000000000040000000000000003000000000000020000000000000000200000000000020000000080000000400000000002000000000000000000000000000800000022000000100008000000010000080000020000000000000000000200000000000000040000000000480000100000000000000000800000000</structure-fingerprint> 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