67759 <common-name>4-Chloro-2-nitrobenzoic acid</common-name> <description>4-Chloro-2-nitrobenzoic acid belongs to the benzoic acids and derivatives, a subclass of benzene and substituted derivatives within the organic compounds. This benzenoid compound has the formula C7H4Cl1N1O4 and an average molecular weight of 201.56 g/mol.</description> <cas>6280-88-2</cas> <pubchem-id>80475</pubchem-id> <chemical-formula>C7H4Cl1N1O4</chemical-formula> <weight>201.56</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">2026-04-03T10:34:21Z</created-at> <updated-at type="dateTime">2026-08-24T01:10:03Z</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(=O)C1=C(C=C(Cl)C=C1)[N+]([O-])=O</moldb-smiles> <moldb-formula>C7H4Cl1N1O4</moldb-formula> <moldb-inchi>InChI=1S/C7H4ClNO4/c8-4-1-2-5(7(10)11)6(3-4)9(12)13/h1-3H,(H,10,11)</moldb-inchi> <moldb-inchikey>JAHIPDTWWVYVRV-UHFFFAOYSA-N</moldb-inchikey> <moldb-average-mass type="decimal">201.56</moldb-average-mass> <moldb-mono-mass type="decimal">200.982885</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp>2.1</logp> <hmdb-id nil="true"/> <chembl-id nil="true"/> <chemspider-id>72684</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>CHEM063652</chemdb-id> <dsstox-id>DTXSID80211899</dsstox-id> <toxcast-id nil="true"/> <stoff-ident-origin nil="true"/> <stoff-ident-id nil="true"/> <susdat-id>NS00022570</susdat-id> <iupac>4-chloro-2-nitrobenzoic acid</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>Benzoic acids and derivatives</subklass> <paper-count type="integer">5</paper-count> <sync-id>CED0042595</sync-id> <structure-inchikey>JAHIPDTWWVYVRV-UHFFFAOYSA-N</structure-inchikey> <structure-fingerprint>1000000000000000000000000400000000000080000000000000000000000000000000002000000004000000000000000080000000000000000000000000400000000000000000000020000000000000001800000000400000000010010080000200000000100000000000000000000000000000000000000000010000000000000000000000000000000000001000000000000000000000000000000000000000000000080200000000000000800000000000000000000000000000000000000000000000000000000010000000000000000200000000000000000000000000000040000000000400000000001000000100000000000000</structure-fingerprint> <structure-pattern-fingerprint>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</structure-pattern-fingerprint> <structure-pickle type="binary" encoding="base64">776t3gAAAAAQAAAAAwAAAAAAAAANAAAADQAAAIABCABoAAAAAwEBBgAoAAAA AwQIACgAAAADAgZAKAAAAAMEBkAoAAAAAwQGQGgAAAADAwEGQCgAAAADBBEA IAAAAAEGQGgAAAADAwEGQGgAAAADAwEHICoAAAABAwQIICoAAAD/AwEIACgA AAADAgsAASABAigCAQMgAwRoDAQFaAwFBmgMBgcABghoDAgJaAwECiAKCyAK DCgCCQNoDEIBAAAABgMJCAYFBBcEAAAAAAAAABY= </structure-pickle> <structure-indexed-at type="dateTime">2026-09-19T04:17:51Z</structure-indexed-at> </compound>