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

Details

Stereochemistry ACHIRAL
Molecular Formula C8H7ClO2
Molecular Weight 170.593
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 4-CHLOROBENZENEACETIC ACID

SMILES

OC(=O)CC1=CC=C(Cl)C=C1

InChI

InChIKey=CDPKJZJVTHSESZ-UHFFFAOYSA-N
InChI=1S/C8H7ClO2/c9-7-3-1-6(2-4-7)5-8(10)11/h1-4H,5H2,(H,10,11)

HIDE SMILES / InChI

Molecular Formula C8H7ClO2
Molecular Weight 170.593
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

Substance Class Chemical
Created
by admin
on Tue Apr 01 17:46:44 GMT 2025
Edited
by admin
on Tue Apr 01 17:46:44 GMT 2025
Record UNII
LLQ6PU28WR
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
4-CHLOROBENZENEACETIC ACID
Systematic Name English
NSC-14285
Preferred Name English
2-(P-CHLOROPHENYL)ACETIC ACID
Systematic Name English
BENZENEACETIC ACID, 4-CHLORO-
Systematic Name English
P-CHLOROPHENYLACETIC ACID
Common Name English
Code System Code Type Description
FDA UNII
LLQ6PU28WR
Created by admin on Tue Apr 01 17:46:44 GMT 2025 , Edited by admin on Tue Apr 01 17:46:44 GMT 2025
PRIMARY
ECHA (EC/EINECS)
217-521-6
Created by admin on Tue Apr 01 17:46:44 GMT 2025 , Edited by admin on Tue Apr 01 17:46:44 GMT 2025
PRIMARY
CAS
1878-66-6
Created by admin on Tue Apr 01 17:46:44 GMT 2025 , Edited by admin on Tue Apr 01 17:46:44 GMT 2025
PRIMARY
NSC
14285
Created by admin on Tue Apr 01 17:46:44 GMT 2025 , Edited by admin on Tue Apr 01 17:46:44 GMT 2025
PRIMARY
CHEBI
30749
Created by admin on Tue Apr 01 17:46:44 GMT 2025 , Edited by admin on Tue Apr 01 17:46:44 GMT 2025
PRIMARY
EPA CompTox
DTXSID7062031
Created by admin on Tue Apr 01 17:46:44 GMT 2025 , Edited by admin on Tue Apr 01 17:46:44 GMT 2025
PRIMARY
PUBCHEM
15880
Created by admin on Tue Apr 01 17:46:44 GMT 2025 , Edited by admin on Tue Apr 01 17:46:44 GMT 2025
PRIMARY