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Details

Stereochemistry ACHIRAL
Molecular Formula C8H6BrFO2
Molecular Weight 233.034
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of Methyl 4-Bromo-2-fluorobenzoate

SMILES

COC(=O)C1=CC=C(Br)C=C1F

InChI

InChIKey=DLILIUSWDLJMCE-UHFFFAOYSA-N
InChI=1S/C8H6BrFO2/c1-12-8(11)6-3-2-5(9)4-7(6)10/h2-4H,1H3

HIDE SMILES / InChI

Molecular Formula C8H6BrFO2
Molecular Weight 233.034
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 17:37:36 GMT 2025
Edited
by admin
on Wed Apr 02 17:37:36 GMT 2025
Record UNII
SS5QCY6Y5Y
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
Methyl 4-Bromo-2-fluorobenzoate
Systematic Name English
4-Bromo-2-fluorobenzoic acid methyl ester
Preferred Name English
Benzoic acid, 4-bromo-2-fluoro-, methyl ester
Systematic Name English
Methyl 2-fluoro-4-bromobenzoate
Systematic Name English
Code System Code Type Description
PUBCHEM
11345311
Created by admin on Wed Apr 02 17:37:36 GMT 2025 , Edited by admin on Wed Apr 02 17:37:36 GMT 2025
PRIMARY
CAS
179232-29-2
Created by admin on Wed Apr 02 17:37:36 GMT 2025 , Edited by admin on Wed Apr 02 17:37:36 GMT 2025
PRIMARY
EPA CompTox
DTXSID50463040
Created by admin on Wed Apr 02 17:37:36 GMT 2025 , Edited by admin on Wed Apr 02 17:37:36 GMT 2025
PRIMARY
FDA UNII
SS5QCY6Y5Y
Created by admin on Wed Apr 02 17:37:36 GMT 2025 , Edited by admin on Wed Apr 02 17:37:36 GMT 2025
PRIMARY