U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS

Details

Stereochemistry ACHIRAL
Molecular Formula C8H5ClFN
Molecular Weight 169.583
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 4-Chloro-2-fluorobenzeneacetonitrile

SMILES

FC1=C(CC#N)C=CC(Cl)=C1

InChI

InChIKey=RTQOANCZEAIDEZ-UHFFFAOYSA-N
InChI=1S/C8H5ClFN/c9-7-2-1-6(3-4-11)8(10)5-7/h1-2,5H,3H2

HIDE SMILES / InChI

Molecular Formula C8H5ClFN
Molecular Weight 169.583
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

Substance Class Chemical
Created
by admin
on Mon Mar 31 23:19:35 GMT 2025
Edited
by admin
on Mon Mar 31 23:19:35 GMT 2025
Record UNII
XX6QFR93JR
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
(4-Chloro-2-fluoro-phenyl)-acetonitrile
Preferred Name English
4-Chloro-2-fluorobenzeneacetonitrile
Systematic Name English
(4-Chloro-2-fluorophenyl)acetonitrile
Systematic Name English
2-(4-Chloro-2-fluorophenyl)acetonitrile
Systematic Name English
2-(2-Fluoro-4-chlorophenyl)acetonitrile
Systematic Name English
Benzeneacetonitrile, 4-chloro-2-fluoro-
Systematic Name English
Code System Code Type Description
PUBCHEM
2736569
Created by admin on Mon Mar 31 23:19:35 GMT 2025 , Edited by admin on Mon Mar 31 23:19:35 GMT 2025
PRIMARY
EPA CompTox
DTXSID40371448
Created by admin on Mon Mar 31 23:19:35 GMT 2025 , Edited by admin on Mon Mar 31 23:19:35 GMT 2025
PRIMARY
CAS
75279-53-7
Created by admin on Mon Mar 31 23:19:35 GMT 2025 , Edited by admin on Mon Mar 31 23:19:35 GMT 2025
PRIMARY
FDA UNII
XX6QFR93JR
Created by admin on Mon Mar 31 23:19:35 GMT 2025 , Edited by admin on Mon Mar 31 23:19:35 GMT 2025
PRIMARY