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Details

Stereochemistry RACEMIC
Molecular Formula C10H7ClFNO
Molecular Weight 211.62
Optical Activity ( + / - )
Defined Stereocenters 0 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 2-(2-Chloro-6-fluorophenyl)-3-oxobutanenitrile

SMILES

CC(=O)C(C#N)C1=C(F)C=CC=C1Cl

InChI

InChIKey=DARQRNNQPWWWJT-UHFFFAOYSA-N
InChI=1S/C10H7ClFNO/c1-6(14)7(5-13)10-8(11)3-2-4-9(10)12/h2-4,7H,1H3

HIDE SMILES / InChI

Molecular Formula C10H7ClFNO
Molecular Weight 211.62
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 18:16:01 GMT 2023
Edited
by admin
on Sat Dec 16 18:16:01 GMT 2023
Record UNII
L3F5AFM9G8
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
2-(2-Chloro-6-fluorophenyl)-3-oxobutanenitrile
Systematic Name English
α-Acetyl-2-chloro-6-fluorobenzeneacetonitrile
Systematic Name English
Benzeneacetonitrile, α-acetyl-2-chloro-6-fluoro-
Systematic Name English
Code System Code Type Description
CAS
93839-17-9
Created by admin on Sat Dec 16 18:16:01 GMT 2023 , Edited by admin on Sat Dec 16 18:16:01 GMT 2023
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PUBCHEM
3022525
Created by admin on Sat Dec 16 18:16:01 GMT 2023 , Edited by admin on Sat Dec 16 18:16:01 GMT 2023
PRIMARY
EPA CompTox
DTXSID60917665
Created by admin on Sat Dec 16 18:16:01 GMT 2023 , Edited by admin on Sat Dec 16 18:16:01 GMT 2023
PRIMARY
FDA UNII
L3F5AFM9G8
Created by admin on Sat Dec 16 18:16:01 GMT 2023 , Edited by admin on Sat Dec 16 18:16:01 GMT 2023
PRIMARY