5470 <common-name>Chloroxuron</common-name> <description>Chloroxuron is an organic compound with the chemical formula C15H15ClN2O2 and an average molecular weight of 290.75 g/mol. Chloroxuron belongs to the diphenylethers, a subclass of benzene and substituted derivatives within the organic compounds. This substance is found in or released from three recorded sources, including drinking water and water supply (drinking water) as well as electrical and electronic equipment, specifically thin magnetic films and discharge lamps. The recorded route of exposure for this compound is oral.</description> <cas>1982-47-4</cas> <pubchem-id>16115</pubchem-id> <chemical-formula>C15H15ClN2O2</chemical-formula> <weight>290.74</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">2016-05-19T01:42:35Z</created-at> <updated-at type="dateTime">2026-08-19T10:00:33Z</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>CN(C)C(=O)NC1=CC=C(OC2=CC=C(Cl)C=C2)C=C1</moldb-smiles> <moldb-formula>C15H15ClN2O2</moldb-formula> <moldb-inchi>InChI=1S/C15H15ClN2O2/c1-18(2)15(19)17-12-5-9-14(10-6-12)20-13-7-3-11(16)4-8-13/h3-10H,1-2H3,(H,17,19)</moldb-inchi> <moldb-inchikey>IVUXTESCPZUGJC-UHFFFAOYSA-N</moldb-inchikey> <moldb-average-mass type="decimal">290.75</moldb-average-mass> <moldb-mono-mass type="decimal">290.0822054</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp>3.5</logp> <hmdb-id nil="true"/> <chembl-id nil="true"/> <chemspider-id>15299</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>CHEM004365</chemdb-id> <dsstox-id>DTXSID7040287</dsstox-id> <toxcast-id nil="true"/> <stoff-ident-origin nil="true"/> <stoff-ident-id nil="true"/> <susdat-id>NS00010440</susdat-id> <iupac>3-[4-(4-chlorophenoxy)phenyl]-1,1-dimethylurea</iupac> <moldb-polar-surface-area>41.57000000000001</moldb-polar-surface-area> <moldb-refractivity>80.43670000000002</moldb-refractivity> <moldb-polarizability>29.917353969611458</moldb-polarizability> <moldb-rotatable-bond-count>3</moldb-rotatable-bond-count> <moldb-acceptor-count>1</moldb-acceptor-count> <moldb-donor-count>1</moldb-donor-count> <moldb-pka-strongest-acidic>13.94500979932327</moldb-pka-strongest-acidic> <moldb-pka-strongest-basic>-2.9799577300417206</moldb-pka-strongest-basic> <moldb-physiological-charge>0</moldb-physiological-charge> <moldb-number-of-rings>2</moldb-number-of-rings> <moldb-alogps-logp>3.40</moldb-alogps-logp> <moldb-alogps-logs>-4.06</moldb-alogps-logs> <moldb-alogps-solubility>2.55e-02 g/l</moldb-alogps-solubility> <kingdom>Organic compounds</kingdom> <superklass>Benzenoids</superklass> <klass>Benzene and substituted derivatives</klass> <subklass>Diphenylethers</subklass> <paper-count type="integer">45</paper-count> <sync-id>CED0024068</sync-id> <structure-inchikey>IVUXTESCPZUGJC-UHFFFAOYSA-N</structure-inchikey> <structure-fingerprint>140000080000000000000000200000000200000000000000000000000000000000000000000000000000000000000400000000000000000000020000000000100000200000000000000000000010080000010000000004000000000000000000000000000000000000000000040020400000000000000000080100000000000000000000008000000000000000000000000000000080000000000100000000000000000000000000000000000000000000000400000000400000010000000000000000200000000000000008000000000000040000040000400000000000000000000000000000000</structure-fingerprint> <structure-pattern-fingerprint>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</structure-pattern-fingerprint> <structure-pickle>ï¾­Þ������������������������€���`�������(�������`�������(�������(�������h�������@(������@h�������@h�������@(�������(������@(������@h�������@h�������@(������� �����@h�������@h�������@h�������@h��������������� ��(��� �� ��h���h�� h� � ��h�� h� �h������h���h� �h���h���h���h�B�������� ���� ��������������</structure-pickle> <structure-indexed-at type="dateTime">2026-09-19T04:01:56Z</structure-indexed-at> </compound>