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Details

Stereochemistry ACHIRAL
Molecular Formula C8H4F3NO
Molecular Weight 187.1187
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 2-(TRIFLUOROMETHOXY)BENZONITRILE

SMILES

FC(F)(F)OC1=CC=CC=C1C#N

InChI

InChIKey=ACNBBQGAWMHXLA-UHFFFAOYSA-N
InChI=1S/C8H4F3NO/c9-8(10,11)13-7-4-2-1-3-6(7)5-12/h1-4H

HIDE SMILES / InChI

Molecular Formula C8H4F3NO
Molecular Weight 187.1187
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 Tue Apr 01 19:12:36 GMT 2025
Edited
by admin
on Tue Apr 01 19:12:36 GMT 2025
Record UNII
ZTZ6VCH4SH
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
2-TRIFLUOROMETHOXYBENZONITRILE
Preferred Name English
2-(TRIFLUOROMETHOXY)BENZONITRILE
Systematic Name English
BENZONITRILE, O-(TRIFLUOROMETHOXY)-
Systematic Name English
O-TRIFLUOROMETHOXYBENZONITRILE
Systematic Name English
O-(TRIFLUOROMETHOXY)BENZONITRILE
Systematic Name English
BENZONITRILE, 2-(TRIFLUOROMETHOXY)-
Systematic Name English
Code System Code Type Description
CAS
63968-85-4
Created by admin on Tue Apr 01 19:12:36 GMT 2025 , Edited by admin on Tue Apr 01 19:12:36 GMT 2025
PRIMARY
FDA UNII
ZTZ6VCH4SH
Created by admin on Tue Apr 01 19:12:36 GMT 2025 , Edited by admin on Tue Apr 01 19:12:36 GMT 2025
PRIMARY
PUBCHEM
2777232
Created by admin on Tue Apr 01 19:12:36 GMT 2025 , Edited by admin on Tue Apr 01 19:12:36 GMT 2025
PRIMARY
EPA CompTox
DTXSID70213807
Created by admin on Tue Apr 01 19:12:36 GMT 2025 , Edited by admin on Tue Apr 01 19:12:36 GMT 2025
PRIMARY
ECHA (EC/EINECS)
264-584-0
Created by admin on Tue Apr 01 19:12:36 GMT 2025 , Edited by admin on Tue Apr 01 19:12:36 GMT 2025
PRIMARY