<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <id type="integer">69472</id>
  <title nil="true"/>
  <common-name>1-((P-Tolyl)methyl)cyclopropanecarbonyl chloride</common-name>
  <description>1-((P-Tolyl)methyl)cyclopropanecarbonyl chloride belongs to the toluenes, a subclass of benzene and substituted derivatives within the organic compounds. This benzenoid compound has the chemical formula C12H13Cl1O1 and an average molecular weight of 208.69 g/mol.</description>
  <cas>1570-86-1</cas>
  <pubchem-id>74076</pubchem-id>
  <chemical-formula>C12H13Cl1O1</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">2026-04-03T15:19:34Z</created-at>
  <updated-at type="dateTime">2026-04-03T15:19:34Z</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(CC2(CC2)C(Cl)=O)C=C1</moldb-smiles>
  <moldb-formula>C12H13Cl1O1</moldb-formula>
  <moldb-inchi>InChI=1S/C12H13ClO/c1-9-2-4-10(5-3-9)8-12(6-7-12)11(13)14/h2-5H,6-8H2,1H3</moldb-inchi>
  <moldb-inchikey>JNOQIWROIDIHDU-UHFFFAOYSA-N</moldb-inchikey>
  <moldb-average-mass type="decimal">208.69</moldb-average-mass>
  <moldb-mono-mass type="decimal">208.065493</moldb-mono-mass>
  <origin nil="true"/>
  <state nil="true"/>
  <logp nil="true"/>
  <hmdb-id nil="true"/>
  <chembl-id nil="true"/>
  <chemspider-id>66693</chemspider-id>
  <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>CHEM065365</chemdb-id>
  <dsstox-id>DTXSID50166185</dsstox-id>
  <toxcast-id nil="true"/>
  <stoff-ident-origin nil="true"/>
  <stoff-ident-id nil="true"/>
  <susdat-id>NS00025106</susdat-id>
  <iupac>1-[(4-methylphenyl)methyl]cyclopropane-1-carbonyl chloride</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>Benzenoids</superklass>
  <klass>Benzene and substituted derivatives</klass>
  <subklass>Toluenes</subklass>
  <paper-count type="integer">12</paper-count>
  <sync-id>CED0033797</sync-id>
  <structure-inchikey>JNOQIWROIDIHDU-UHFFFAOYSA-N</structure-inchikey>
  <structure-fingerprint>800000000000000000000000000000000000001000000000000200000200000000000000000000000000000000000000000804000000000000000000000000000000000000000020000000000000000000000400000000000000010000000000000000000000000000020000000000000000000000000000000048000000000008000020000000200000000000000000000400000000000800000000000000000000080000000000000000000000000000000000000000000000000000000000000000000000000010000000002002000220000000000000000100000000000040000000000480000000000000000000000000000000</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����B������������������������</structure-pickle>
  <structure-indexed-at type="dateTime">2026-09-19T04:19:14Z</structure-indexed-at>
</compound>
