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

Details

Stereochemistry ACHIRAL
Molecular Formula C6H2F3NO2
Molecular Weight 177.0808
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 1,2,3-TRIFLUORO-4-NITROBENZENE

SMILES

[O-][N+](=O)C1=CC=C(F)C(F)=C1F

InChI

InChIKey=ARCACZWMYGILNI-UHFFFAOYSA-N
InChI=1S/C6H2F3NO2/c7-3-1-2-4(10(11)12)6(9)5(3)8/h1-2H

HIDE SMILES / InChI

Approval Year

Name Type Language
1,2,3-TRIFLUORO-4-NITROBENZENE
Systematic Name English
2,3,4-TRIFLUORONITROBENZENE
Preferred Name English
BENZENE, 1,2,3-TRIFLUORO-4-NITRO-
Systematic Name English
2,3,4-TRIFLUORO-1-NITROBENZENE
Systematic Name English
4-NITRO-1,2,3-TRIFLUOROBENZENE
Common Name English
Code System Code Type Description
CAS
771-69-7
Created by admin on Wed Apr 02 13:04:35 GMT 2025 , Edited by admin on Wed Apr 02 13:04:35 GMT 2025
PRIMARY
ECHA (EC/EINECS)
212-238-4
Created by admin on Wed Apr 02 13:04:35 GMT 2025 , Edited by admin on Wed Apr 02 13:04:35 GMT 2025
PRIMARY
EPA CompTox
DTXSID30227889
Created by admin on Wed Apr 02 13:04:35 GMT 2025 , Edited by admin on Wed Apr 02 13:04:35 GMT 2025
PRIMARY
PUBCHEM
69871
Created by admin on Wed Apr 02 13:04:35 GMT 2025 , Edited by admin on Wed Apr 02 13:04:35 GMT 2025
PRIMARY
FDA UNII
NKN86LZ8MM
Created by admin on Wed Apr 02 13:04:35 GMT 2025 , Edited by admin on Wed Apr 02 13:04:35 GMT 2025
PRIMARY