141054 <common-name>Niclofolan</common-name> <description>Niclofolan belongs to the biphenyls and derivatives, a subclass of benzene and substituted derivatives within the organic compounds. It is a benzenoid with the chemical formula C12H6Cl2N2O6 and an average molecular weight of 345.09 g/mol.</description> <cas>10331-57-4</cas> <pubchem-id>5284586</pubchem-id> <chemical-formula>C12H6Cl2N2O6</chemical-formula> <weight>345.09</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">2026-04-15T17:17:12Z</created-at> <updated-at type="dateTime">2026-08-18T21:15:55Z</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>DB20273</drugbank-id> <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>OC1=C(C=C(Cl)C=C1[N+]([O-])=O)C1=C(O)C(=CC(Cl)=C1)[N+]([O-])=O</moldb-smiles> <moldb-formula>C12H6Cl2N2O6</moldb-formula> <moldb-inchi>InChI=1S/C12H6Cl2N2O6/c13-5-1-7(11(17)9(3-5)15(19)20)8-2-6(14)4-10(12(8)18)16(21)22/h1-4,17-18H</moldb-inchi> <moldb-inchikey>XULACPAEUUWKFX-UHFFFAOYSA-N</moldb-inchikey> <moldb-average-mass type="decimal">345.09</moldb-average-mass> <moldb-mono-mass type="decimal">343.9602913</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp>4.9</logp> <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>CHEM136947</chemdb-id> <dsstox-id nil="true"/> <toxcast-id nil="true"/> <stoff-ident-origin nil="true"/> <stoff-ident-id nil="true"/> <susdat-id nil="true"/> <iupac>4-chloro-2-(5-chloro-2-hydroxy-3-nitrophenyl)-6-nitrophenol</iupac> <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>Benzenoids</superklass> <klass>Benzene and substituted derivatives</klass> <subklass>Biphenyls and derivatives</subklass> <paper-count type="integer">31</paper-count> <sync-id>CED0026764</sync-id> <structure-inchikey>XULACPAEUUWKFX-UHFFFAOYSA-N</structure-inchikey> <structure-fingerprint>20008000000000000000000000000000000000a000000000000000000000000000000000000000000000000000400000000000000000000020000000000000001800000000400000000000010000000210000000100000000000000000000000000000000000000000000000000000000000000020000000000000001000000000000000000000000000000000000000000000080000000000000000800000000000000000000000000080000000002000000000000000000010000000000000001000000000800000000000000000000040000000000000000000001000000000000000000000</structure-fingerprint> <structure-pattern-fingerprint>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</structure-pattern-fingerprint> <structure-pickle type="binary" encoding="base64">776t3gAAAAAQAAAAAwAAAAAAAAAWAAAAFwAAAIABCABoAAAAAwEBBkAoAAAA AwQGQCgAAAADBAZAaAAAAAMDAQZAKAAAAAMEEQAgAAAAAQZAaAAAAAMDAQZA KAAAAAMEByAqAAAAAQMECCAqAAAA/wMBCAAoAAAAAwIGQCgAAAADBAZAKAAA AAMECABoAAAAAwEBBkAoAAAAAwQGQGgAAAADAwEGQCgAAAADBBEAIAAAAAEG QGgAAAADAwEHICoAAAABAwQIICoAAAD/AwEIACgAAAADAgsAASABAmgMAgNo DAMEaAwEBQAEBmgMBgdoDAcIIAgJIAgKKAICCyALDGgMDA0gDA5oDA4PaAwP EGgMEBEAEBJoDA4TIBMUIBMVKAIHAWgMEgtoDEICAAAABgEHBgQDAgYMDg8Q EgsXBAAAAAAAAAAW </structure-pickle> <structure-indexed-at type="dateTime">2026-09-19T04:51:48Z</structure-indexed-at> </compound>