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Details

Stereochemistry ACHIRAL
Molecular Formula C9H9BrO2
Molecular Weight 229.071
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 2-Bromoethyl benzoate

SMILES

BrCCOC(=O)C1=CC=CC=C1

InChI

InChIKey=KNBBDZULQFKSIE-UHFFFAOYSA-N
InChI=1S/C9H9BrO2/c10-6-7-12-9(11)8-4-2-1-3-5-8/h1-5H,6-7H2

HIDE SMILES / InChI

Approval Year

Unknown
149124
Name Type Language
Ethanol, 2-bromo-, 1-benzoate
Preferred Name English
2-Bromoethyl benzoate
Systematic Name English
?-Bromoethyl benzoate
Systematic Name English
Code System Code Type Description
PUBCHEM
523090
Created by admin on Wed Apr 02 18:50:49 GMT 2025 , Edited by admin on Wed Apr 02 18:50:49 GMT 2025
PRIMARY
EPA CompTox
DTXSID30335150
Created by admin on Wed Apr 02 18:50:49 GMT 2025 , Edited by admin on Wed Apr 02 18:50:49 GMT 2025
PRIMARY
CAS
939-54-8
Created by admin on Wed Apr 02 18:50:49 GMT 2025 , Edited by admin on Wed Apr 02 18:50:49 GMT 2025
PRIMARY
FDA UNII
72PB6FLV4E
Created by admin on Wed Apr 02 18:50:49 GMT 2025 , Edited by admin on Wed Apr 02 18:50:49 GMT 2025
PRIMARY
NIH
NCATS
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