EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:194725 - 2-(3,5-Dichlorophenoxy)acetonitrile

Default Structure
ChEBI IDCHEBI:194725
ChEBI Name2-(3,5-Dichlorophenoxy)acetonitrile
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC8H5Cl2NO
Net Charge0
Average Mass202.040
Monoisotopic Mass200.97482
SMILESN#CCOc1cc(Cl)cc(Cl)c1
InChIInChI=1S/C8H5Cl2NO/c9-6-3-7(10)5-8(4-6)12-2-1-11/h3-5H,2H2
InChIKeyPNROREDTZJCOHF-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
2-(3,5-Dichlorophenoxy)acetonitrile (CHEBI:194725) is a dichlorobenzene (CHEBI:23697)
IUPAC Name 
2-(3,5-dichlorophenoxy)acetonitrile
Manual XrefsDatabases
451786ChemSpider