360950 <common-name>4-amino-3,5-difluorobenzenesulfonic acid</common-name> <description nil="true"/> <cas nil="true"/> <pubchem-id>130017994</pubchem-id> <chemical-formula>C6H5F2NO3S</chemical-formula> <weight>209.17</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">2026-09-01T09:36:03Z</created-at> <updated-at type="dateTime">2026-09-01T09:36:03Z</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>C1=C(C=C(C(=C1F)N)F)S(=O)(=O)O</moldb-smiles> <moldb-formula>C6H5F2NO3S</moldb-formula> <moldb-inchi>InChI=1S/C6H5F2NO3S/c7-4-1-3(13(10,11)12)2-5(8)6(4)9/h1-2H,9H2,(H,10,11,12)</moldb-inchi> <moldb-inchikey>NWPLKFSUZUCZOD-UHFFFAOYSA-N</moldb-inchikey> <moldb-average-mass type="decimal" nil="true"/> <moldb-mono-mass type="decimal">208.9958205</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp>0.2</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>CHEM356843</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-amino-3,5-difluorobenzenesulfonic 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 nil="true"/> <superklass nil="true"/> <klass nil="true"/> <subklass nil="true"/> <paper-count type="integer" nil="true"/> <sync-id>CED0311094</sync-id> <structure-inchikey>NWPLKFSUZUCZOD-UHFFFAOYSA-N</structure-inchikey> <structure-fingerprint>2300000000001000000020000000000000000000000000000000000000000000000000000000000008000000020000020000000000010000000000000000000000000010000000000000000100000000000000000000000000000000000000000000000000000000000000000000000001000000000800000000000000000000000000000000000000000080000000000000800004000088000000000000000000000000000000000000000000000000000000000000000000000000000000000000000008000000040000000000000800000000000000000000000000000</structure-fingerprint> <structure-pattern-fingerprint>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</structure-pattern-fingerprint> <structure-pickle>ï¾­Þ���������������� ��� ���€��@h�������@(������@h�������@(������@(������@(����� � ������h������ � ������ ������(�������(�������`��������h���h���h���h���h������ ���� � �� ��� ����h�B���������������������</structure-pickle> <structure-indexed-at type="dateTime">2026-09-19T05:58:22Z</structure-indexed-at> </compound>