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Details

Stereochemistry ACHIRAL
Molecular Formula C8H8ClO.Na
Molecular Weight 178.591
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of Sodium 4-Chloro-2,3-dimethylphenol

SMILES

[Na+].CC1=C([O-])C=CC(Cl)=C1C

InChI

InChIKey=XLMYFQNRMUYLEO-UHFFFAOYSA-M
InChI=1S/C8H9ClO.Na/c1-5-6(2)8(10)4-3-7(5)9;/h3-4,10H,1-2H3;/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 C8H8ClO
Molecular Weight 155.602
Charge -1
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 Mon Mar 31 22:14:53 GMT 2025
Edited
by admin
on Mon Mar 31 22:14:53 GMT 2025
Record UNII
EVB2RJ2A6E
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
Sodium 4-Chloro-2,3-dimethylphenol
Systematic Name English
2,3-Xylenol, 4-chloro-, sodium salt
Preferred Name English
Phenol, 4-chloro-2,3-dimethyl-, sodium salt (1:1)
Systematic Name English
Code System Code Type Description
CAS
23689-42-1
Created by admin on Mon Mar 31 22:14:53 GMT 2025 , Edited by admin on Mon Mar 31 22:14:53 GMT 2025
PRIMARY
FDA UNII
EVB2RJ2A6E
Created by admin on Mon Mar 31 22:14:53 GMT 2025 , Edited by admin on Mon Mar 31 22:14:53 GMT 2025
PRIMARY
PUBCHEM
169490704
Created by admin on Mon Mar 31 22:14:53 GMT 2025 , Edited by admin on Mon Mar 31 22:14:53 GMT 2025
PRIMARY
Related Record Type Details
PARENT -> SALT/SOLVATE