97180 <common-name>1-Chloro-4-(ethylsulphonyl)-2-nitrobenzene</common-name> <description nil="true"/> <cas nil="true"/> <pubchem-id>1515859</pubchem-id> <chemical-formula>C8H9ClNO4S</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">2026-04-05T05:08:21Z</created-at> <updated-at type="dateTime">2026-04-05T05:08:21Z</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>CCS(=O)(=O)C1=CC(=C(Cl)C=C1)N(=O)=O</moldb-smiles> <moldb-formula>C8H9ClNO4S</moldb-formula> <moldb-inchi>InChI=1/C8H8ClNO4S/c1-2-15(13,14)6-3-4-7(9)8(5-6)10(11)12/h3-5H,2H2,1H3</moldb-inchi> <moldb-inchikey>VETAODCIKKRRTR-UHFFFAOYSA-N</moldb-inchikey> <moldb-average-mass type="decimal">249.67</moldb-average-mass> <moldb-mono-mass type="decimal">249.9940814</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>CHEM093073</chemdb-id> <dsstox-id>DTXSID50995598</dsstox-id> <toxcast-id nil="true"/> <stoff-ident-origin nil="true"/> <stoff-ident-id nil="true"/> <susdat-id>NS00059447</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>Benzenoids</superklass> <klass>Benzene and substituted derivatives</klass> <subklass>Nitrobenzenes</subklass> <paper-count type="integer">0</paper-count> <sync-id>CED0145358</sync-id> <structure-inchikey>VETAODCIKKRRTR-UHFFFAOYSA-N</structure-inchikey> <structure-fingerprint>800000000000000000000000000000000000000000000000000002000801000000022002000000000000000000000000000000000000010000000000400000000000000000800020002000000000001800000000400000000000000000000200000000100000000000000000000000000000000000000000000040000000008000000000000000000200001000000000000000000000000000000000000000040000080000000000000000000000080000000000000000000000000000000000800000000000000010000000000000000200000000000000000000000000000040000000000000000000001000000000000000000000</structure-fingerprint> <structure-pattern-fingerprint>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</structure-pattern-fingerprint> <structure-pickle>ï¾­Þ������������������������€���`�������`������� ������(�������(������@(������@h�������@(������@(������� �����@h�������@h��������*��������*���ÿ����(�������������������������h���h���h�� �� h� �h��� � ��(���h�B������� �������������</structure-pickle> <structure-indexed-at type="dateTime">2026-09-19T04:37:27Z</structure-indexed-at> </compound>