U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS

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
139594
Name Type Language
2-Bromoethyl benzoate
Systematic Name English
Ethanol, 2-bromo-, 1-benzoate
Systematic Name English
β-Bromoethyl benzoate
Systematic Name English
Code System Code Type Description
PUBCHEM
523090
Created by admin on Sat Dec 16 20:18:24 GMT 2023 , Edited by admin on Sat Dec 16 20:18:24 GMT 2023
PRIMARY
CAS
939-54-8
Created by admin on Sat Dec 16 20:18:24 GMT 2023 , Edited by admin on Sat Dec 16 20:18:24 GMT 2023
PRIMARY
FDA UNII
72PB6FLV4E
Created by admin on Sat Dec 16 20:18:24 GMT 2023 , Edited by admin on Sat Dec 16 20:18:24 GMT 2023
PRIMARY
NIH
NCATS
PRIVACY ACT
ACCESSIBILITY
DISCLAIMER
HHS VULNERABILITY DISCLOSURE
For language access assistance, contact the NCATS Public Information Officer
National Center for Advancing Translational Sciences (NCATS),
6701 Democracy Boulevard, Bethesda MD 20892-4874 • 301-594-8966