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Details

Stereochemistry RACEMIC
Molecular Formula C10H8FNO
Molecular Weight 177.175
Optical Activity ( + / - )
Defined Stereocenters 0 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 2-(4-Fluorophenyl)-3-oxobutanenitrile

SMILES

CC(=O)C(C#N)C1=CC=C(F)C=C1

InChI

InChIKey=BASLPLDKFVWJLO-UHFFFAOYSA-N
InChI=1S/C10H8FNO/c1-7(13)10(6-12)8-2-4-9(11)5-3-8/h2-5,10H,1H3

HIDE SMILES / InChI

Molecular Formula C10H8FNO
Molecular Weight 177.175
Charge 0
Count
Stereochemistry RACEMIC
Additional Stereochemistry No
Defined Stereocenters 0 / 1
E/Z Centers 0
Optical Activity ( + / - )

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 18:47:32 GMT 2023
Edited
by admin
on Sat Dec 16 18:47:32 GMT 2023
Record UNII
NU77HDS5L7
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
2-(4-Fluorophenyl)-3-oxobutanenitrile
Systematic Name English
2-(4-Fluoro-phenyl)-3-oxo-butyronitrile
Systematic Name English
2-(4-Fluoro-phenyl)-acetoacetonitrile
Systematic Name English
Acetoacetonitrile, 2-(p-fluorophenyl)-
Systematic Name English
Benzeneacetonitrile, α-acetyl-4-fluoro-
Systematic Name English
Benzeneacetonitrile, 4-fluoro-α-(1-hydroxyethylidene)-
Systematic Name English
4-Fluoro-α-(1-hydroxyethylidene)benzeneacetonitrile
Systematic Name English
Code System Code Type Description
CAS
447-03-0
Created by admin on Sat Dec 16 18:47:32 GMT 2023 , Edited by admin on Sat Dec 16 18:47:32 GMT 2023
PRIMARY
FDA UNII
NU77HDS5L7
Created by admin on Sat Dec 16 18:47:32 GMT 2023 , Edited by admin on Sat Dec 16 18:47:32 GMT 2023
PRIMARY
EPA CompTox
DTXSID60963268
Created by admin on Sat Dec 16 18:47:32 GMT 2023 , Edited by admin on Sat Dec 16 18:47:32 GMT 2023
PRIMARY
CAS
1318850-34-8
Created by admin on Sat Dec 16 18:47:32 GMT 2023 , Edited by admin on Sat Dec 16 18:47:32 GMT 2023
ALTERNATIVE
PUBCHEM
3013886
Created by admin on Sat Dec 16 18:47:32 GMT 2023 , Edited by admin on Sat Dec 16 18:47:32 GMT 2023
PRIMARY