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Details

Stereochemistry ACHIRAL
Molecular Formula C8H4Cl3O2.Na
Molecular Weight 261.465
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of SODIUM 2,4,5-TRICHLOROPHENYLACETATE

SMILES

[Na+].[O-]C(=O)CC1=C(Cl)C=C(Cl)C(Cl)=C1

InChI

InChIKey=SPAOUGSHIFOWDT-UHFFFAOYSA-M
InChI=1S/C8H5Cl3O2.Na/c9-5-3-7(11)6(10)1-4(5)2-8(12)13;/h1,3H,2H2,(H,12,13);/q;+1/p-1

HIDE SMILES / InChI

Molecular Formula Na
Molecular Weight 22.98976928
Charge 1
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Molecular Formula C8H4Cl3O2
Molecular Weight 238.475
Charge -1
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

Patents

Patents

Substance Class Chemical
Created
by admin
on Mon Mar 31 23:29:55 GMT 2025
Edited
by admin
on Mon Mar 31 23:29:55 GMT 2025
Record UNII
9S4N9K652Y
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
BENZENEACETIC ACID, 2,4,5-TRICHLORO-, SODIUM SALT
Preferred Name English
SODIUM 2,4,5-TRICHLOROPHENYLACETATE
Systematic Name English
Code System Code Type Description
PUBCHEM
23722745
Created by admin on Mon Mar 31 23:29:55 GMT 2025 , Edited by admin on Mon Mar 31 23:29:55 GMT 2025
PRIMARY
FDA UNII
9S4N9K652Y
Created by admin on Mon Mar 31 23:29:55 GMT 2025 , Edited by admin on Mon Mar 31 23:29:55 GMT 2025
PRIMARY
EPA CompTox
DTXSID70896755
Created by admin on Mon Mar 31 23:29:55 GMT 2025 , Edited by admin on Mon Mar 31 23:29:55 GMT 2025
PRIMARY
CAS
53404-91-4
Created by admin on Mon Mar 31 23:29:55 GMT 2025 , Edited by admin on Mon Mar 31 23:29:55 GMT 2025
PRIMARY