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

Details

Stereochemistry ACHIRAL
Molecular Formula C8H4BrF3O2
Molecular Weight 269.015
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 2-Bromo-4-(trifluoromethyl)benzoic acid

SMILES

OC(=O)C1=CC=C(C=C1Br)C(F)(F)F

InChI

InChIKey=SINIIFNWZPCJGU-UHFFFAOYSA-N
InChI=1S/C8H4BrF3O2/c9-6-3-4(8(10,11)12)1-2-5(6)7(13)14/h1-3H,(H,13,14)

HIDE SMILES / InChI

Approval Year

Name Type Language
2-Bromo-4-(trifluoromethyl)benzoic acid
Systematic Name English
Benzoic acid, 2-bromo-4-(trifluoromethyl)-
Preferred Name English
Code System Code Type Description
ECHA (EC/EINECS)
206-339-2
Created by admin on Tue Apr 01 20:31:24 GMT 2025 , Edited by admin on Tue Apr 01 20:31:24 GMT 2025
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CAS
328-89-2
Created by admin on Tue Apr 01 20:31:24 GMT 2025 , Edited by admin on Tue Apr 01 20:31:24 GMT 2025
PRIMARY
PUBCHEM
67605
Created by admin on Tue Apr 01 20:31:24 GMT 2025 , Edited by admin on Tue Apr 01 20:31:24 GMT 2025
PRIMARY
EPA CompTox
DTXSID40186473
Created by admin on Tue Apr 01 20:31:24 GMT 2025 , Edited by admin on Tue Apr 01 20:31:24 GMT 2025
PRIMARY
FDA UNII
55F6F4XX8G
Created by admin on Tue Apr 01 20:31:24 GMT 2025 , Edited by admin on Tue Apr 01 20:31:24 GMT 2025
PRIMARY