<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <id type="integer">3867</id>
  <title>T3D3812</title>
  <common-name>Cloprop</common-name>
  <description>Cloprop is an exogenous organic compound with the formula C9H9ClO3 and an average molecular weight of 200.62 g/mol. At room temperature, it exists as a solid. Cloprop belongs to the 2-phenoxypropionic acids, a subclass of benzene and substituted derivatives within the organic compounds. This compound is classified within the superclass of benzenoids.

Cloprop is associated with two recorded sources: household cleaning and consumer products, specifically perfumes within detergents and soaps, and food, food processing and cookware, specifically food preservation. In terms of biological activity, the compound interacts with five recorded protein targets. These include interleukin-1 alpha (IL1A), C-C motif chemokine 2 (CCL2), cytochrome P450 2C9 (CYP2C9), interstitial collagenase (MMP1), and one other protein.</description>
  <cas>101-10-0</cas>
  <pubchem-id>7542</pubchem-id>
  <chemical-formula>C9H9ClO3</chemical-formula>
  <weight>200.62</weight>
  <appearance>White powder.</appearance>
  <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>No indication of carcinogenicity to humans (not listed by IARC).</carcinogenicity>
  <use-source>This is a man-made compound that is used as a pesticide.</use-source>
  <min-risk-level nil="true"/>
  <health-effects nil="true"/>
  <symptoms nil="true"/>
  <treatment nil="true"/>
  <created-at type="dateTime">2013-04-25T07:56:50Z</created-at>
  <updated-at type="dateTime">2026-08-25T23:01:34Z</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>CC(OC1=CC(Cl)=CC=C1)C(O)=O</moldb-smiles>
  <moldb-formula>C9H9ClO3</moldb-formula>
  <moldb-inchi>InChI=1S/C9H9ClO3/c1-6(9(11)12)13-8-4-2-3-7(10)5-8/h2-6H,1H3,(H,11,12)</moldb-inchi>
  <moldb-inchikey>YNTJKQDWYXUTLZ-UHFFFAOYSA-N</moldb-inchikey>
  <moldb-average-mass type="decimal">200.619</moldb-average-mass>
  <moldb-mono-mass type="decimal">200.024021861</moldb-mono-mass>
  <origin>Exogenous</origin>
  <state>Solid</state>
  <logp>2.3</logp>
  <hmdb-id nil="true"/>
  <chembl-id nil="true"/>
  <chemspider-id>7261</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></synthesis-reference>
  <structure-image-caption nil="true"/>
  <chemdb-id>CHEM002773</chemdb-id>
  <dsstox-id>DTXSID9034232</dsstox-id>
  <toxcast-id nil="true"/>
  <stoff-ident-origin nil="true"/>
  <stoff-ident-id nil="true"/>
  <susdat-id>NS00015265</susdat-id>
  <iupac>2-(3-chlorophenoxy)propanoic acid</iupac>
  <moldb-polar-surface-area>46.53</moldb-polar-surface-area>
  <moldb-refractivity>47.904500000000006</moldb-refractivity>
  <moldb-polarizability>18.98709480870465</moldb-polarizability>
  <moldb-rotatable-bond-count>3</moldb-rotatable-bond-count>
  <moldb-acceptor-count>3</moldb-acceptor-count>
  <moldb-donor-count>1</moldb-donor-count>
  <moldb-pka-strongest-acidic>3.268810247657081</moldb-pka-strongest-acidic>
  <moldb-pka-strongest-basic>-4.912084023282915</moldb-pka-strongest-basic>
  <moldb-physiological-charge>-1</moldb-physiological-charge>
  <moldb-number-of-rings>1</moldb-number-of-rings>
  <moldb-alogps-logp>2.56</moldb-alogps-logp>
  <moldb-alogps-logs>-2.15</moldb-alogps-logs>
  <moldb-alogps-solubility>1.43e+00 g/l</moldb-alogps-solubility>
  <kingdom>Organic compounds</kingdom>
  <superklass>Benzenoids</superklass>
  <klass>Benzene and substituted derivatives</klass>
  <subklass>2-phenoxypropionic acids</subklass>
  <paper-count type="integer">21</paper-count>
  <sync-id>CED0029428</sync-id>
  <structure-inchikey>YNTJKQDWYXUTLZ-UHFFFAOYSA-N</structure-inchikey>
  <structure-fingerprint>40000000100000000000000000000000000000020400000000000080000000000000001000000000200000000000000004000000000800000000000000000000000000000000600000008000000000000020008000000100000000000000000000000000010000000000000000100000000000000000000000000000000000000001000040000000800000000000000000000000000000000000000000040400000000000000000000000000080000000000000000000000000000000000000000000000000000000000000000000000000010000000000000000200000000000000000000000800000040000000000400000000000000000000000000000000</structure-fingerprint>
  <structure-pattern-fingerprint>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</structure-pattern-fingerprint>
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</structure-pickle>
  <structure-indexed-at type="dateTime">2026-09-19T04:00:56Z</structure-indexed-at>
</compound>
