122797 <common-name>(Tridecafluorohexyl)phosphonic acid--4-methylaniline (1/1)</common-name> <description nil="true"/> <cas nil="true"/> <pubchem-id nil="true"/> <chemical-formula>C13H11F13NO3P</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">2026-04-06T06:09:03Z</created-at> <updated-at type="dateTime">2026-05-21T05:17:57Z</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>CC1=CC=C(N)C=C1.OP(O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F</moldb-smiles> <moldb-formula>C13H11F13NO3P</moldb-formula> <moldb-inchi>InChI=1S/C7H9N.C6H2F13O3P/c1-6-2-4-7(8)5-3-6;7-1(8,3(11,12)5(15,16)17)2(9,10)4(13,14)6(18,19)23(20,21)22/h2-5H,8H2,1H3;(H2,20,21,22)</moldb-inchi> <moldb-inchikey>FGPWDBUGVSWIGE-UHFFFAOYSA-N</moldb-inchikey> <moldb-average-mass type="decimal">507.188</moldb-average-mass> <moldb-mono-mass type="decimal">507.0268967</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>CHEM118690</chemdb-id> <dsstox-id>DTXSID40895614</dsstox-id> <toxcast-id nil="true"/> <stoff-ident-origin nil="true"/> <stoff-ident-id nil="true"/> <susdat-id>NS00110384</susdat-id> <iupac>(Tridecafluorohexyl)phosphonic acid--4-methylaniline (1/1)</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>Organohalogen compounds</superklass> <klass>Alkyl halides</klass> <subklass>Alkyl fluorides</subklass> <paper-count type="integer">0</paper-count> <sync-id>CED0153654</sync-id> <structure-inchikey>FGPWDBUGVSWIGE-UHFFFAOYSA-N</structure-inchikey> <structure-fingerprint>100000000000002000000000000000000080000000081000000000000000000000000000000000000000000000000000000000000002000000000000000000000000000000000000000020000000000000000000000000000000000000010000000000000000000280000008000000000000080000000000000000400040000000000000000000000000009000000000000000000000000000000000200000000000000000080002000000000000044000000000000000000000000000000000000000000000000000000000000000002000000200000000000008000100020000000040000020000080800000400000000000000000000000</structure-fingerprint> <structure-pattern-fingerprint>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</structure-pattern-fingerprint> <structure-pickle>ï¾­Þ������������������������€���`������@(������@h�������@h�������@(�������h�������@h�������@h��������`������� ������`�������(������� ���� � ���� � ������ ���� � ���� � ������ ���� � ���� � ������ ���� � ���� � ������ ���� � ���� � ������ ���� � ���� � ���� � ����������h���h���h��� ��h���h�� � � ��� ��� ������������������������������������������������������h�B���������������������</structure-pickle> <structure-indexed-at type="dateTime">2026-09-19T04:46:02Z</structure-indexed-at> </compound>