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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=C(F)C=C(Br)C=C1

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

Approval Year

Unknown
139594
Name Type Language
Methyl 4-Bromo-2-fluorobenzoate
Systematic Name English
Benzoic acid, 4-bromo-2-fluoro-, methyl ester
Systematic Name English
Methyl 2-fluoro-4-bromobenzoate
Systematic Name English
4-Bromo-2-fluorobenzoic acid methyl ester
Systematic Name English
Code System Code Type Description
PUBCHEM
11345311
Created by admin on Sat Dec 16 19:54:02 GMT 2023 , Edited by admin on Sat Dec 16 19:54:02 GMT 2023
PRIMARY
CAS
179232-29-2
Created by admin on Sat Dec 16 19:54:02 GMT 2023 , Edited by admin on Sat Dec 16 19:54:02 GMT 2023
PRIMARY
FDA UNII
SS5QCY6Y5Y
Created by admin on Sat Dec 16 19:54:02 GMT 2023 , Edited by admin on Sat Dec 16 19:54:02 GMT 2023
PRIMARY
NIH
NCATS
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