<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <id type="integer">363868</id>
  <title nil="true"/>
  <common-name>7-chloro-4-nitro-2-(trifluoromethyl)-1h-benzimidazole</common-name>
  <description>7-chloro-4-nitro-2-(trifluoromethyl)-1h-benzimidazole is a chemical compound with the formula C8H3ClF3N3O2. It has an average molecular weight of 265.57 g/mol.</description>
  <cas>89427-11-2</cas>
  <pubchem-id>135481888</pubchem-id>
  <chemical-formula>C8H3ClF3N3O2</chemical-formula>
  <weight>265.57</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">2026-09-01T13:33:50Z</created-at>
  <updated-at type="dateTime">2026-09-01T13:33:50Z</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=CC(=C2C(=C1[N+](=O)[O-])N=C(N2)C(F)(F)F)Cl</moldb-smiles>
  <moldb-formula>C8H3ClF3N3O2</moldb-formula>
  <moldb-inchi>InChI=1S/C8H3ClF3N3O2/c9-3-1-2-4(15(16)17)6-5(3)13-7(14-6)8(10,11)12/h1-2H,(H,13,14)</moldb-inchi>
  <moldb-inchikey>QBKPGCHGJXTPPQ-UHFFFAOYSA-N</moldb-inchikey>
  <moldb-average-mass type="decimal" nil="true"/>
  <moldb-mono-mass type="decimal">264.9865885</moldb-mono-mass>
  <origin nil="true"/>
  <state nil="true"/>
  <logp>2.1</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>CHEM359761</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>7-chloro-4-nitro-2-(trifluoromethyl)-1h-benzimidazole</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>Organoheterocyclic compounds</superklass>
  <klass>Benzimidazoles</klass>
  <subklass nil="true"/>
  <paper-count type="integer" nil="true"/>
  <sync-id>CED0313890</sync-id>
  <structure-inchikey>QBKPGCHGJXTPPQ-UHFFFAOYSA-N</structure-inchikey>
  <structure-fingerprint>200000000000002000000000000000000000000000000000000000000000000000000000002002002000000000002000000000000000000000000000000000400000000000000000000020002000000000001800000000400000000001004010000200000000000000000000000000000800000000000000000000000000000000000000200000000000000000001000000000000000000000000000000000000008000000080000000000000000040040000000000000002000000000000000000800000000000000000010000000000800004200000000021000000000000001000040000000000000800000001000000000000000000000</structure-fingerprint>
  <structure-pattern-fingerprint>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</structure-pattern-fingerprint>
  <structure-pickle>ï¾­Þ������������������������€��@h�������@h�������@(������@(������@(������@(������ *��������(������ *���ÿ���@(������@(������@8�������� ����	� ����	� ����	� ������ �������h���h���h���h���h��� ��(��� �	h�	
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  <structure-indexed-at type="dateTime">2026-09-19T06:00:22Z</structure-indexed-at>
</compound>
