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Details

Stereochemistry ACHIRAL
Molecular Formula C8H3F3N2O2
Molecular Weight 216.1168
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 4-NITRO-2-(TRIFLUOROMETHYL)BENZONITRILE

SMILES

[O-][N+](=O)C1=CC(=C(C=C1)C#N)C(F)(F)F

InChI

InChIKey=AGKQJEFSEQHGTA-UHFFFAOYSA-N
InChI=1S/C8H3F3N2O2/c9-8(10,11)7-3-6(13(14)15)2-1-5(7)4-12/h1-3H

HIDE SMILES / InChI

Molecular Formula C8H3F3N2O2
Molecular Weight 216.1168
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 Wed Apr 02 12:12:25 GMT 2025
Edited
by admin
on Wed Apr 02 12:12:25 GMT 2025
Record UNII
WZK23R6C2V
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
2-CYANO-5-NITROBENZOTRIFLUORIDE
Preferred Name English
4-NITRO-2-(TRIFLUOROMETHYL)BENZONITRILE
Systematic Name English
BENZONITRILE, 4-NITRO-2-(TRIFLUOROMETHYL)-
Common Name English
Code System Code Type Description
EPA CompTox
DTXSID50379692
Created by admin on Wed Apr 02 12:12:25 GMT 2025 , Edited by admin on Wed Apr 02 12:12:25 GMT 2025
PRIMARY
PUBCHEM
2775783
Created by admin on Wed Apr 02 12:12:25 GMT 2025 , Edited by admin on Wed Apr 02 12:12:25 GMT 2025
PRIMARY
CAS
320-47-8
Created by admin on Wed Apr 02 12:12:25 GMT 2025 , Edited by admin on Wed Apr 02 12:12:25 GMT 2025
PRIMARY
FDA UNII
WZK23R6C2V
Created by admin on Wed Apr 02 12:12:25 GMT 2025 , Edited by admin on Wed Apr 02 12:12:25 GMT 2025
PRIMARY