75064 <common-name>5-Chlorosulphonyl-2-anisic acid</common-name> <description>5-Chlorosulphonyl-2-anisic acid belongs to the benzoic acids and derivatives, a subclass of benzene and substituted derivatives within the organic compounds. It is a member of the benzenoids superclass with the formula C8H7Cl1O5S1 and an average molecular weight of 250.65 g/mol.</description> <cas>51904-91-7</cas> <pubchem-id>104007</pubchem-id> <chemical-formula>C8H7Cl1O5S1</chemical-formula> <weight>250.66</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">2026-04-04T02:47:01Z</created-at> <updated-at type="dateTime">2026-08-25T00:29:19Z</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>COC1=C(C=C(C=C1)S(Cl)(=O)=O)C(O)=O</moldb-smiles> <moldb-formula>C8H7Cl1O5S1</moldb-formula> <moldb-inchi>InChI=1S/C8H7ClO5S/c1-14-7-3-2-5(15(9,12)13)4-6(7)8(10)11/h2-4H,1H3,(H,10,11)</moldb-inchi> <moldb-inchikey>OUBZCDOQEMLMAB-UHFFFAOYSA-N</moldb-inchikey> <moldb-average-mass type="decimal">250.65</moldb-average-mass> <moldb-mono-mass type="decimal">249.970272</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp>1.2</logp> <hmdb-id nil="true"/> <chembl-id nil="true"/> <chemspider-id>93900</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>CHEM070957</chemdb-id> <dsstox-id>DTXSID60199868</dsstox-id> <toxcast-id nil="true"/> <stoff-ident-origin nil="true"/> <stoff-ident-id nil="true"/> <susdat-id>NS00032369</susdat-id> <iupac>5-chlorosulfonyl-2-methoxybenzoic 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">0</paper-count> <sync-id>CED0097794</sync-id> <structure-inchikey>OUBZCDOQEMLMAB-UHFFFAOYSA-N</structure-inchikey> <structure-fingerprint>200000000004000000020000000000000001000400000000000000001000000020000000004000000000000000080000000000000000000000000000000000000000000000020000000000100001000800000000000000000010000000040000000100000000000000000000000000000000000000000010040000000000000000000000000000000000000000000000004000000000000000000000000000000080000000000000000000000080000000000000080000000000000000000000000000000000010000000000001000200000000000000000000000000000040000000008400000000000020000100000000000000</structure-fingerprint> <structure-pattern-fingerprint>510000000123060485001040010820000000040001052200203420408200002c44020010108000000000410800800000042100a0008c32010000443000a0480084110400020006014090102000e20300000105805100193240000622400009000c3004060048820040000000c430000120108010102de0041108000002110002004400080c5402080c00020088080008111c00124c4014820204080000404080c04100801000400000000848013c211002c00000894108401000021008400210800000a404880012018000000401028000000000020050080d000000080001001000021000010000000000030012200000102010004000024000000050010200</structure-pattern-fingerprint> <structure-pickle type="binary" encoding="base64">776t3gAAAAAQAAAAAwAAAAAAAAAPAAAADwAAAIABBgBgAAAAAQMIACgAAAAD AgZAKAAAAAMEBkAoAAAAAwQGQGgAAAADAwEGQCgAAAADBAZAaAAAAAMDAQZA aAAAAAMDARAAIAAAAAYRACAAAAABCAAoAAAAAwIIACgAAAADAgYAKAAAAAME CABoAAAAAwEBCAAoAAAAAwILAAEAAQIgAgNoDAMEaAwEBWgMBQZoDAYHaAwF CAAICQAICggCCAsIAgMMIAwNIAwOKAIHAmgMQgEAAAAGAgcGBQQDFwQAAAAA AAAAFg== </structure-pickle> <structure-indexed-at type="dateTime">2026-09-19T04:23:24Z</structure-indexed-at> </compound>