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CHEBI:51858 - 2-(4-fluorophenyl)-3-oxobutyronitrile

ChEBI IDCHEBI:51858
ChEBI Name2-(4-fluorophenyl)-3-oxobutyronitrile
Stars
Last Modified19 February 2009
SubmitterMarcus Ennis
DownloadsMolfile
FormulaC10H8FNO
Net Charge0
Average Mass177.178
Monoisotopic Mass177.05899
SMILESCC(=O)C(C#N)c1ccc(F)cc1
InChIInChI=1S/C10H8FNO/c1-7(13)10(6-12)8-2-4-9(11)5-3-8/h2-5,10H,1H3
InChIKeyBASLPLDKFVWJLO-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
2-(4-fluorophenyl)-3-oxobutyronitrile (CHEBI:51858) has functional parent butyronitrile (CHEBI:51937)
2-(4-fluorophenyl)-3-oxobutyronitrile (CHEBI:51858) is a β-ketonitrile (CHEBI:51854)
IUPAC Name 
2-(4-fluorophenyl)-3-oxobutanenitrile
Synonym  Source
2-(4-fluorophenyl)acetoacetonitrileChEBI
Registry NumbersSources
Beilstein:744678Beilstein
CAS:447-03-0ChemIDplus