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Details

Stereochemistry ACHIRAL
Molecular Formula C7H4BrFO2
Molecular Weight 219.008
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 4-Bromo-2-fluorobenzoic acid

SMILES

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

InChI

InChIKey=ZQQSRVPOAHYHEL-UHFFFAOYSA-N
InChI=1S/C7H4BrFO2/c8-4-1-2-5(7(10)11)6(9)3-4/h1-3H,(H,10,11)

HIDE SMILES / InChI

Approval Year

Unknown
149124
Name Type Language
NSC-190364
Preferred Name English
4-Bromo-2-fluorobenzoic acid
Systematic Name English
Benzoic acid, 4-bromo-2-fluoro-
Systematic Name English
2-Fluoro-4-bromobenzoic acid
Systematic Name English
Code System Code Type Description
PUBCHEM
302681
Created by admin on Wed Apr 02 19:28:34 GMT 2025 , Edited by admin on Wed Apr 02 19:28:34 GMT 2025
PRIMARY
EPA CompTox
DTXSID60307209
Created by admin on Wed Apr 02 19:28:34 GMT 2025 , Edited by admin on Wed Apr 02 19:28:34 GMT 2025
PRIMARY
CAS
112704-79-7
Created by admin on Wed Apr 02 19:28:34 GMT 2025 , Edited by admin on Wed Apr 02 19:28:34 GMT 2025
PRIMARY
FDA UNII
CNX7NG4GG6
Created by admin on Wed Apr 02 19:28:34 GMT 2025 , Edited by admin on Wed Apr 02 19:28:34 GMT 2025
PRIMARY
NIH
NCATS
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