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<compound>
  <version>1.0</version>
  <creation_date>2026-04-05 05:13:13 UTC</creation_date>
  <update_date>2026-08-23 23:47:08 UTC</update_date>
  <accession/>
  <common_name>1,2-Dichloro-3-(trichloromethyl)benzene</common_name>
  <class>SmallMolecule</class>
  <description>1,2-Dichloro-3-(trichloromethyl)benzene belongs to the halobenzenes, a subclass of benzene and substituted derivatives within the organic compounds. It is a member of the benzenoids superclass with the formula C7H3Cl5 and an average molecular weight of 264.35 g/mol.</description>
  <categories/>
  <types/>
  <synonyms/>
  <chemical_formula>C7H3Cl5</chemical_formula>
  <average_molecular_weight>264.35</average_molecular_weight>
  <monisotopic_moleculate_weight>261.8677385</monisotopic_moleculate_weight>
  <iupac_name/>
  <traditional_iupac/>
  <cas_registry_number>84613-97-8</cas_registry_number>
  <smiles>ClC1=CC=CC(=C1Cl)C(Cl)(Cl)Cl</smiles>
  <inchi>InChI=1/C7H3Cl5/c8-5-3-1-2-4(6(5)9)7(10,11)12/h1-3H</inchi>
  <inchikey>GKGPLSQWIBJJPC-UHFFFAOYSA-N</inchikey>
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    <sub_class/>
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  </taxonomy>
  <status>Detected and Not Quantified</status>
  <origin/>
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  <experimental_properties>
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      <kind>logp</kind>
      <value>4.8</value>
    </property>
  </experimental_properties>
  <predicted_properties>
    <property>
      <kind>average_mass</kind>
      <value>264.35</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>mono_mass</kind>
      <value>261.8677385</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>smiles</kind>
      <value>ClC1=CC=CC(=C1Cl)C(Cl)(Cl)Cl</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>formula</kind>
      <value>C7H3Cl5</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>inchi</kind>
      <value>InChI=1/C7H3Cl5/c8-5-3-1-2-4(6(5)9)7(10,11)12/h1-3H</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>inchikey</kind>
      <value>GKGPLSQWIBJJPC-UHFFFAOYSA-N</value>
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    </property>
  </predicted_properties>
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  <pubchem_compound_id>169377</pubchem_compound_id>
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