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

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name 2-(4-fluorophenyl)-3-oxobutyronitrile
ChEBI ID CHEBI:51858
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
Download Molfile XML SDF
Formula C10H8FNO
Net Charge 0
Average Mass 177.17506
Monoisotopic Mass 177.05899
InChI InChI=1S/C10H8FNO/c1-7(13)10(6-12)8-2-4-9(11)5-3-8/h2-5,10H,1H3
InChIKey BASLPLDKFVWJLO-UHFFFAOYSA-N
SMILES CC(=O)C(C#N)c1ccc(F)cc1
ChEBI Ontology
Outgoing 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)acetoacetonitrile ChEBI
Registry Numbers Types Sources
447-03-0 CAS Registry Number ChemIDplus
744678 Beilstein Registry Number Beilstein
Last Modified
19 February 2009