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

Details

Stereochemistry ACHIRAL
Molecular Formula C7H4BrF3
Molecular Weight 225.006
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 4-Bromobenzotrifluoride

SMILES

FC(F)(F)C1=CC=C(Br)C=C1

InChI

InChIKey=XLQSXGGDTHANLN-UHFFFAOYSA-N
InChI=1S/C7H4BrF3/c8-6-3-1-5(2-4-6)7(9,10)11/h1-4H

HIDE SMILES / InChI

Approval Year

Name Type Language
4-Bromobenzotrifluoride
Systematic Name English
Benzene, 1-bromo-4-(trifluoromethyl)-
Systematic Name English
1-Bromo-4-(trifluoromethyl)benzene
Systematic Name English
Code System Code Type Description
FDA UNII
Q96KAT73BD
Created by admin on Sat Dec 16 19:54:34 GMT 2023 , Edited by admin on Sat Dec 16 19:54:34 GMT 2023
PRIMARY
ECHA (EC/EINECS)
206-943-6
Created by admin on Sat Dec 16 19:54:34 GMT 2023 , Edited by admin on Sat Dec 16 19:54:34 GMT 2023
PRIMARY
EPA CompTox
DTXSID0059950
Created by admin on Sat Dec 16 19:54:34 GMT 2023 , Edited by admin on Sat Dec 16 19:54:34 GMT 2023
PRIMARY
CAS
402-43-7
Created by admin on Sat Dec 16 19:54:34 GMT 2023 , Edited by admin on Sat Dec 16 19:54:34 GMT 2023
PRIMARY
PUBCHEM
67872
Created by admin on Sat Dec 16 19:54:34 GMT 2023 , Edited by admin on Sat Dec 16 19:54:34 GMT 2023
PRIMARY