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 Ethyl 3-bromobenzoate

SMILES

CCOC(=O)C1=CC=CC(Br)=C1

InChI

InChIKey=QAUASTLEZAPQTB-UHFFFAOYSA-N
InChI=1S/C9H9BrO2/c1-2-12-9(11)7-4-3-5-8(10)6-7/h3-6H,2H2,1H3

HIDE SMILES / InChI

Approval Year

Name Type Language
Ethyl 3-bromobenzoate
Systematic Name English
Benzoic acid, 3-bromo-, ethyl ester
Systematic Name English
Ethyl m-bromobenzoate
Systematic Name English
Code System Code Type Description
PUBCHEM
90488
Created by admin on Sat Dec 16 18:10:14 GMT 2023 , Edited by admin on Sat Dec 16 18:10:14 GMT 2023
PRIMARY
CAS
24398-88-7
Created by admin on Sat Dec 16 18:10:14 GMT 2023 , Edited by admin on Sat Dec 16 18:10:14 GMT 2023
PRIMARY
EPA CompTox
DTXSID40179143
Created by admin on Sat Dec 16 18:10:14 GMT 2023 , Edited by admin on Sat Dec 16 18:10:14 GMT 2023
PRIMARY
ECHA (EC/EINECS)
246-223-9
Created by admin on Sat Dec 16 18:10:14 GMT 2023 , Edited by admin on Sat Dec 16 18:10:14 GMT 2023
PRIMARY
FDA UNII
U8S6ZA5URZ
Created by admin on Sat Dec 16 18:10:14 GMT 2023 , Edited by admin on Sat Dec 16 18:10:14 GMT 2023
PRIMARY