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Details

Stereochemistry ACHIRAL
Molecular Formula C7H3BrClF3
Molecular Weight 259.451
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 5-Bromo-2-chlorobenzotrifluoride

SMILES

FC(F)(F)C1=CC(Br)=CC=C1Cl

InChI

InChIKey=XGOCKBMEZPNDPJ-UHFFFAOYSA-N
InChI=1S/C7H3BrClF3/c8-4-1-2-6(9)5(3-4)7(10,11)12/h1-3H

HIDE SMILES / InChI

Molecular Formula C7H3BrClF3
Molecular Weight 259.451
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 18:46:49 GMT 2025
Edited
by admin
on Tue Apr 01 18:46:49 GMT 2025
Record UNII
RK6Y7PY8S9
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
4-Bromo-2-chloro-?,?,?-trifluorotoluene
Preferred Name English
5-Bromo-2-chlorobenzotrifluoride
Systematic Name English
4-Bromo-1-chloro-2-(trifluoromethyl)benzene
Systematic Name English
Benzene, 4-bromo-1-chloro-2-(trifluoromethyl)-
Systematic Name English
Code System Code Type Description
CAS
445-01-2
Created by admin on Tue Apr 01 18:46:49 GMT 2025 , Edited by admin on Tue Apr 01 18:46:49 GMT 2025
PRIMARY
EPA CompTox
DTXSID20196196
Created by admin on Tue Apr 01 18:46:49 GMT 2025 , Edited by admin on Tue Apr 01 18:46:49 GMT 2025
PRIMARY
ECHA (EC/EINECS)
207-149-2
Created by admin on Tue Apr 01 18:46:49 GMT 2025 , Edited by admin on Tue Apr 01 18:46:49 GMT 2025
PRIMARY
PUBCHEM
67959
Created by admin on Tue Apr 01 18:46:49 GMT 2025 , Edited by admin on Tue Apr 01 18:46:49 GMT 2025
PRIMARY
FDA UNII
RK6Y7PY8S9
Created by admin on Tue Apr 01 18:46:49 GMT 2025 , Edited by admin on Tue Apr 01 18:46:49 GMT 2025
PRIMARY