<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <id type="integer">90299</id>
  <title nil="true"/>
  <common-name>4-Amino-4'-fluoro-3-nitrobenzophenone</common-name>
  <description>4-Amino-4'-fluoro-3-nitrobenzophenone belongs to the benzophenones, a subclass of benzene and substituted derivatives within the organic compounds. It is a member of the benzenoids superclass with the formula C13H10FN2O3. This compound has an average molecular weight of 260.22 g/mol.</description>
  <cas>31431-26-2</cas>
  <pubchem-id>3015567</pubchem-id>
  <chemical-formula>C13H10FN2O3</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">2026-04-05T00:13:38Z</created-at>
  <updated-at type="dateTime">2026-04-05T00:13:38Z</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>NC1=C(C=C(C=C1)C(=O)C1=CC=C(F)C=C1)[N+]([O-])=O</moldb-smiles>
  <moldb-formula>C13H10FN2O3</moldb-formula>
  <moldb-inchi>InChI=1/C13H9FN2O3/c14-10-4-1-8(2-5-10)13(17)9-3-6-11(15)12(7-9)16(18)19/h1-7H,15H2</moldb-inchi>
  <moldb-inchikey>WGHPYSRSLNIWOT-UHFFFAOYSA-N</moldb-inchikey>
  <moldb-average-mass type="decimal">260.224</moldb-average-mass>
  <moldb-mono-mass type="decimal">261.0675454</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>CHEM086192</chemdb-id>
  <dsstox-id>DTXSID40185360</dsstox-id>
  <toxcast-id nil="true"/>
  <stoff-ident-origin nil="true"/>
  <stoff-ident-id nil="true"/>
  <susdat-id>NS00051364</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>Benzophenones</subklass>
  <paper-count type="integer">0</paper-count>
  <sync-id>CED0160042</sync-id>
  <structure-inchikey>WGHPYSRSLNIWOT-UHFFFAOYSA-N</structure-inchikey>
  <structure-fingerprint>400000000000000000002000400000000000000000000000000000000000000000000000000100000000002000000000000000000000000000001000000000000000000000000000002000000000000020000000000010001800000000400000000000010000000200000000100000000200000000000000000000000000000000000000000000000000000000000000001000001000000000000000000020000000000000000000000000084000002000000000004000000000000000000000000000000000000000000000000000020000004000000000000200000100000000000000000000000040000000000400800000001000000000080000000000</structure-fingerprint>
  <structure-pattern-fingerprint>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</structure-pattern-fingerprint>
  <structure-pickle>ï¾­Þ������������������������€���h�������@(������@(������@h�������@(������@h�������@h��������(�������(������@(������@h�������@h�������@(�����	� �����@h�������@h������� *������� *���ÿ����(�������� ��h���h���h���h���h��� ��(��	 	
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  <structure-indexed-at type="dateTime">2026-09-19T04:33:08Z</structure-indexed-at>
</compound>
