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

Details

Stereochemistry ABSOLUTE
Molecular Formula C9H11ClO3
Molecular Weight 202.635
Optical Activity UNSPECIFIED
Defined Stereocenters 1 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of CHLORPHENESIN, (S)-

SMILES

OC[C@H](O)COC1=CC=C(Cl)C=C1

InChI

InChIKey=MXOAEAUPQDYUQM-QMMMGPOBSA-N
InChI=1S/C9H11ClO3/c10-7-1-3-9(4-2-7)13-6-8(12)5-11/h1-4,8,11-12H,5-6H2/t8-/m0/s1

HIDE SMILES / InChI

Approval Year

Name Type Language
CHLORPHENESIN, (S)-
Common Name English
1,2-PROPANEDIOL, 3-(4-CHLOROPHENOXY)-, (2S)-
Systematic Name English
Code System Code Type Description
CAS
80117-05-1
Created by admin on Sat Dec 16 10:49:07 GMT 2023 , Edited by admin on Sat Dec 16 10:49:07 GMT 2023
PRIMARY
PUBCHEM
6927747
Created by admin on Sat Dec 16 10:49:07 GMT 2023 , Edited by admin on Sat Dec 16 10:49:07 GMT 2023
PRIMARY
EPA CompTox
DTXSID70426117
Created by admin on Sat Dec 16 10:49:07 GMT 2023 , Edited by admin on Sat Dec 16 10:49:07 GMT 2023
PRIMARY
FDA UNII
A2WHY8L93S
Created by admin on Sat Dec 16 10:49:07 GMT 2023 , Edited by admin on Sat Dec 16 10:49:07 GMT 2023
PRIMARY