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Details

Stereochemistry ACHIRAL
Molecular Formula C21H15Cl3O2
Molecular Weight 405.702
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 3,3,3-TRIS(4-CHLOROPHENYL)PROPANOIC ACID

SMILES

OC(=O)CC(C1=CC=C(Cl)C=C1)(C2=CC=C(Cl)C=C2)C3=CC=C(Cl)C=C3

InChI

InChIKey=LHIVWYJOCNGZRI-UHFFFAOYSA-N
InChI=1S/C21H15Cl3O2/c22-17-7-1-14(2-8-17)21(13-20(25)26,15-3-9-18(23)10-4-15)16-5-11-19(24)12-6-16/h1-12H,13H2,(H,25,26)

HIDE SMILES / InChI

Molecular Formula C21H15Cl3O2
Molecular Weight 405.702
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 19:17:40 GMT 2025
Edited
by admin
on Tue Apr 01 19:17:40 GMT 2025
Record UNII
LD3SB44ZHS
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
3,3,3-TRIS(4-CHLOROPHENYL)PROPANOIC ACID
Systematic Name English
3,3,3-TRIS(P-CHLOROPHENYL)PROPIONIC ACID
Preferred Name English
4-CHLORO-.BETA.,.BETA.-BIS(4-CHLOROPHENYL)BENZENEPROPANOIC ACID
Systematic Name English
BENZENEPROPANOIC ACID, 4-CHLORO-.BETA.,.BETA.-BIS(4-CHLOROPHENYL)-
Systematic Name English
Code System Code Type Description
PUBCHEM
75107
Created by admin on Tue Apr 01 19:17:40 GMT 2025 , Edited by admin on Tue Apr 01 19:17:40 GMT 2025
PRIMARY
CAS
2168-06-1
Created by admin on Tue Apr 01 19:17:40 GMT 2025 , Edited by admin on Tue Apr 01 19:17:40 GMT 2025
PRIMARY
ECHA (EC/EINECS)
218-509-3
Created by admin on Tue Apr 01 19:17:40 GMT 2025 , Edited by admin on Tue Apr 01 19:17:40 GMT 2025
PRIMARY
EPA CompTox
DTXSID30176065
Created by admin on Tue Apr 01 19:17:40 GMT 2025 , Edited by admin on Tue Apr 01 19:17:40 GMT 2025
PRIMARY
FDA UNII
LD3SB44ZHS
Created by admin on Tue Apr 01 19:17:40 GMT 2025 , Edited by admin on Tue Apr 01 19:17:40 GMT 2025
PRIMARY