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

Details

Stereochemistry RACEMIC
Molecular Formula C10H11ClO2
Molecular Weight 198.646
Optical Activity ( + / - )
Defined Stereocenters 0 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of Benzyl 2-chloropropanoate

SMILES

CC(Cl)C(=O)OCC1=CC=CC=C1

InChI

InChIKey=JZYXQRUIIAOBOQ-UHFFFAOYSA-N
InChI=1S/C10H11ClO2/c1-8(11)10(12)13-7-9-5-3-2-4-6-9/h2-6,8H,7H2,1H3

HIDE SMILES / InChI

Approval Year

Unknown
149124
Name Type Language
Benzyl 2-chloropropanoate
Systematic Name English
2-Chloropropionic acid benzyl ester
Preferred Name English
Propanoic acid, 2-chloro-, phenylmethyl ester
Systematic Name English
Benzyl 2-chloropropionate
Systematic Name English
Phenylmethyl 2-chloropropanoate
Systematic Name English
Code System Code Type Description
FDA UNII
K3NK8JZQ7H
Created by admin on Wed Apr 02 20:42:01 GMT 2025 , Edited by admin on Wed Apr 02 20:42:01 GMT 2025
PRIMARY
CAS
81577-34-6
Created by admin on Wed Apr 02 20:42:01 GMT 2025 , Edited by admin on Wed Apr 02 20:42:01 GMT 2025
PRIMARY
PUBCHEM
560859
Created by admin on Wed Apr 02 20:42:01 GMT 2025 , Edited by admin on Wed Apr 02 20:42:01 GMT 2025
PRIMARY
NIH
NCATS
PRIVACY NOTICE
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