67849 <common-name>Carbonochloridic acid, 4-nitrophenyl ester</common-name> <description>Carbonochloridic acid, 4-nitrophenyl ester belongs to the nitrobenzenes, 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>7693-46-1</cas> <pubchem-id>82129</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">2026-04-03T10:44:36Z</created-at> <updated-at type="dateTime">2026-08-24T01:10:29Z</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>[O-][N+](=O)C1=CC=C(OC(Cl)=O)C=C1</moldb-smiles> <moldb-formula>C7H4Cl1N1O4</moldb-formula> <moldb-inchi>InChI=1S/C7H4ClNO4/c8-7(10)13-6-3-1-5(2-4-6)9(11)12/h1-4H</moldb-inchi> <moldb-inchikey>NXLNNXIXOYSCMB-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>2.6</logp> <hmdb-id nil="true"/> <chembl-id nil="true"/> <chemspider-id>74123</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>CHEM063742</chemdb-id> <dsstox-id>DTXSID3064772</dsstox-id> <toxcast-id nil="true"/> <stoff-ident-origin nil="true"/> <stoff-ident-id nil="true"/> <susdat-id>NS00022773</susdat-id> <iupac>(4-nitrophenyl) carbonochloridate</iupac> <moldb-polar-surface-area>69.44</moldb-polar-surface-area> <moldb-refractivity>44.2239</moldb-refractivity> <moldb-polarizability>16.684798020504083</moldb-polarizability> <moldb-rotatable-bond-count>3</moldb-rotatable-bond-count> <moldb-acceptor-count>3</moldb-acceptor-count> <moldb-donor-count>0</moldb-donor-count> <moldb-pka-strongest-acidic nil="true"/> <moldb-pka-strongest-basic>-8.089456785523321</moldb-pka-strongest-basic> <moldb-physiological-charge>0</moldb-physiological-charge> <moldb-number-of-rings>1</moldb-number-of-rings> <moldb-alogps-logp>2.29</moldb-alogps-logp> <moldb-alogps-logs>-3.20</moldb-alogps-logs> <moldb-alogps-solubility>1.28e-01 g/l</moldb-alogps-solubility> <kingdom>Organic compounds</kingdom> <superklass>Benzenoids</superklass> <klass>Benzene and substituted derivatives</klass> <subklass>Nitrobenzenes</subklass> <paper-count type="integer">3</paper-count> <sync-id>CED0046254</sync-id> <structure-inchikey>NXLNNXIXOYSCMB-UHFFFAOYSA-N</structure-inchikey> <structure-fingerprint>800000000000000000000000000000000000000000000000000000000000000000000200000000000000000000000000000000000000000000000000000000000000000000000000000000020000000000100001200000000400040000000010000000200000000000000000000000000000000000000000000000000000000000000100000000000000000000000001000000000000000000020000800000000100000000000080000000000000002000000000000000000000000000000000000000000000000000000000010000000000040000200000000000000420000000000000040000000000400000000001000000000000000000000</structure-fingerprint> <structure-pattern-fingerprint>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</structure-pattern-fingerprint> <structure-pickle type="binary" encoding="base64">776t3gAAAAAQAAAAAwAAAAAAAAANAAAADQAAAIABCCAqAAAA/wMBByAqAAAA AQMECAAoAAAAAwIGQCgAAAADBAZAaAAAAAMDAQZAaAAAAAMDAQZAKAAAAAME CAAoAAAAAwIGACgAAAADBBEAIAAAAAEIACgAAAADAgZAaAAAAAMDAQZAaAAA AAMDAQsAASABAigCAQMgAwRoDAQFaAwFBmgMBgcgBwggCAkACAooAgYLaAwL DGgMDANoDEIBAAAABgMMCwYFBBcEAAAAAAAAABY= </structure-pickle> <structure-indexed-at type="dateTime">2026-09-19T04:17:54Z</structure-indexed-at> </compound>