<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <id type="integer">281195</id>
  <title nil="true"/>
  <common-name>(4-cyanophenyl) diethyl phosphate</common-name>
  <description>(4-cyanophenyl) diethyl phosphate belongs to the benzonitriles, a subclass of benzene and substituted derivatives within the organic compounds. It is a member of the benzenoids superclass with the formula C11H14NO4P and an average molecular weight of 255.21 g/mol.</description>
  <cas>6132-16-7</cas>
  <pubchem-id>165409</pubchem-id>
  <chemical-formula>C11H14NO4P</chemical-formula>
  <weight>255.21</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">2026-08-26T21:09:41Z</created-at>
  <updated-at type="dateTime">2026-08-26T21:09:41Z</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>CCOP(=O)(OCC)OC1=CC=C(C=C1)C#N</moldb-smiles>
  <moldb-formula>C11H14NO4P</moldb-formula>
  <moldb-inchi>InChI=1S/C11H14NO4P/c1-3-14-17(13,15-4-2)16-11-7-5-10(9-12)6-8-11/h5-8H,3-4H2,1-2H3</moldb-inchi>
  <moldb-inchikey>PHEAVLINHUOYPR-UHFFFAOYSA-N</moldb-inchikey>
  <moldb-average-mass type="decimal" nil="true"/>
  <moldb-mono-mass type="decimal">255.0660449</moldb-mono-mass>
  <origin nil="true"/>
  <state nil="true"/>
  <logp>2</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>CHEM277088</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>(4-cyanophenyl) diethyl phosphate</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>Benzonitriles</subklass>
  <paper-count type="integer">3</paper-count>
  <sync-id>CED0047736</sync-id>
  <structure-inchikey>PHEAVLINHUOYPR-UHFFFAOYSA-N</structure-inchikey>
  <structure-fingerprint>8020000000000080000200000000000000000000008000000000000000000000000200400020000000000000000000000000000000000000000200080000000000000000000000000000000000002000002000010000020000000000000000020000000000000000000000000000000000000000000000000000000000000000004000000010000000000080000000000000001002000002000000000000000000000000000000000008c000000000000000008000000000000000000000000000000000000000000000000000000000000000080000000200000000000000000000000000000040000000000000000000200000000000000000000000</structure-fingerprint>
  <structure-pattern-fingerprint>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</structure-pattern-fingerprint>
  <structure-pickle>ï¾­Þ������������������������€���`�������`������� ������ ������(������� ������`�������`�������(������@(������@h�������@h�������@(������@h�������@h��������(�������(��������������������������������	 	
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����������</structure-pickle>
  <structure-indexed-at type="dateTime">2026-09-19T04:56:18Z</structure-indexed-at>
</compound>
