Services
Research
Training
Industry
About us
ChEBI
Examples:
iron*
,
InChI=1S/CH4O/c1-2/h2H,1H3
,
caffeine
Advanced
Home
Advanced Search
Browse
Documentation
Download
Tools
About ChEBI
Submit
Contact us
DiNA
Statistics
Entity of the Month
Periodic Table
Ontology
Train online
User Manual
Annotation Manual
Developer Manual
FAQ's
BiNChE
libChEBI
Web Services
ChEBI
> Main
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
Find compounds which contain this structure
Find compounds which resemble this structure
Take structure to the Advanced Search
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