100547 <common-name>Acetyl(2-chloro-6-fluorophenyl)acetonitrile</common-name> <description>Acetyl(2-chloro-6-fluorophenyl)acetonitrile belongs to the phenylpropanes, a subclass of benzene and substituted derivatives within the organic compounds. It is a benzenoid with the formula C10H7ClFNO and an average molecular weight of 211.62 g/mol.</description> <cas>93839-17-9</cas> <pubchem-id>3022525</pubchem-id> <chemical-formula>C10H7ClFNO</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">2026-04-05T07:55:59Z</created-at> <updated-at type="dateTime">2026-04-05T07:55:59Z</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(=O)C(C#N)C1=C(Cl)C=CC=C1F</moldb-smiles> <moldb-formula>C10H7ClFNO</moldb-formula> <moldb-inchi>InChI=1/C10H7ClFNO/c1-6(14)7(5-13)10-8(11)3-2-4-9(10)12/h2-4,7H,1H3</moldb-inchi> <moldb-inchikey>DARQRNNQPWWWJT-UHFFFAOYSA-N</moldb-inchikey> <moldb-average-mass type="decimal">211.62</moldb-average-mass> <moldb-mono-mass type="decimal">211.0200197</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp nil="true"/> <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>CHEM096440</chemdb-id> <dsstox-id>DTXSID60917665</dsstox-id> <toxcast-id nil="true"/> <stoff-ident-origin nil="true"/> <stoff-ident-id nil="true"/> <susdat-id>NS00063625</susdat-id> <iupac nil="true"/> <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>Phenylpropanes</subklass> <paper-count type="integer">0</paper-count> <sync-id>CED0163890</sync-id> <structure-inchikey>DARQRNNQPWWWJT-UHFFFAOYSA-N</structure-inchikey> <structure-fingerprint>40000000000000000000000000000000000000000000000004000000000000000000000000000000000000000002000000001000000000000000000010000000000000000000400000000000000000000020100020000010000000000000000000000200010000000000000000000000000000000000002000020000000000400081000040000000800000000000000000000000000000000000000000000000000000000000000000000040088000000000000000000000000000000000000000000000000000000000002200000000000010000000040000000200000000000000000020008000000040000000000400800000000000000000000000000000</structure-fingerprint> <structure-pattern-fingerprint>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</structure-pattern-fingerprint> <structure-pickle>ï¾­Þ������������������������€���`�������(�������(�������`�������(�������(������@(������@(������� �����@h�������@h�������@h�������@(����� � ���������������������������h����� h� h� �h���h�� ���h�B�������� �����������</structure-pickle> <structure-indexed-at type="dateTime">2026-09-19T04:39:21Z</structure-indexed-at> </compound>