<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <id type="integer">82799</id>
  <title nil="true"/>
  <common-name>2-Chlorocyclopentan-one</common-name>
  <description>2-Chlorocyclopentan-one belongs to the carbonyl compounds, a subclass of organooxygen compounds within the organic compounds. It has the formula C5H7ClO and an average molecular weight of 118.56 g/mol. This substance is further classified as an organic oxygen compound and an organooxygen compound.</description>
  <cas>694-28-0</cas>
  <pubchem-id>12751</pubchem-id>
  <chemical-formula>C5H7ClO</chemical-formula>
  <weight>118.56</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">2026-04-04T19:04:31Z</created-at>
  <updated-at type="dateTime">2026-08-23T00:50:06Z</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>ClC1CCCC1=O</moldb-smiles>
  <moldb-formula>C5H7ClO</moldb-formula>
  <moldb-inchi>InChI=1/C5H7ClO/c6-4-2-1-3-5(4)7/h4H,1-3H2</moldb-inchi>
  <moldb-inchikey>AXDZFGRFZOQVBV-UHFFFAOYSA-N</moldb-inchikey>
  <moldb-average-mass type="decimal">118.56</moldb-average-mass>
  <moldb-mono-mass type="decimal">118.0185425</moldb-mono-mass>
  <origin nil="true"/>
  <state nil="true"/>
  <logp>1.1</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>CHEM078692</chemdb-id>
  <dsstox-id>DTXSID50883481</dsstox-id>
  <toxcast-id nil="true"/>
  <stoff-ident-origin nil="true"/>
  <stoff-ident-id nil="true"/>
  <susdat-id>NS00042376</susdat-id>
  <iupac>2-chlorocyclopentan-1-one</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>Organic oxygen compounds</superklass>
  <klass>Organooxygen compounds</klass>
  <subklass>Carbonyl compounds</subklass>
  <paper-count type="integer">0</paper-count>
  <sync-id>CED0123817</sync-id>
  <structure-inchikey>AXDZFGRFZOQVBV-UHFFFAOYSA-N</structure-inchikey>
  <structure-fingerprint>20000000000000200000000000000000000080004000000000000000000000000000000000000000000020000000000000000000000000000000000000000000000000000000000000000000020000000000000000000000100800000000001000000000000000002000000000000000000000000000000000000000000004000000000000080000000000000000000000000000000000000000000000000000000000000000000000000010000010000080200000000000000000000000000000000000000000000000000000008000000000000000000000</structure-fingerprint>
  <structure-pattern-fingerprint>4000000000000000000000008000004000000240040000000040000000000800000000001000080000004200000008c00010000442000a00000801100000010000010000000806200000000000040010022000400200000080004200000000000002040000040000000200080100000600411080020041000020040000004000000080000000808000010040002444000000000080000100005804100000800c000000008000020021002c0000200004800080000000000000000000000040000100000000000000000000000000008402000000004080000000000080000000000080000000000000000000000004800080000020050000000</structure-pattern-fingerprint>
  <structure-pickle>ï¾­Þ������������������������€��� ������`�������`�������`�������`�������(�������(����������������������������B��������������������</structure-pickle>
  <structure-indexed-at type="dateTime">2026-09-19T04:28:51Z</structure-indexed-at>
</compound>
