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Details

Stereochemistry ACHIRAL
Molecular Formula C8H7ClO4S
Molecular Weight 234.657
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 2-Chloro-4-(methylsulfonyl)benzoic acid

SMILES

CS(=O)(=O)C1=CC=C(C(O)=O)C(Cl)=C1

InChI

InChIKey=CTTWSFIIFMWHLQ-UHFFFAOYSA-N
InChI=1S/C8H7ClO4S/c1-14(12,13)5-2-3-6(8(10)11)7(9)4-5/h2-4H,1H3,(H,10,11)

HIDE SMILES / InChI

Molecular Formula C8H7ClO4S
Molecular Weight 234.657
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 Wed Apr 02 19:16:55 GMT 2025
Edited
by admin
on Wed Apr 02 19:16:55 GMT 2025
Record UNII
PM45Q33ZR6
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
Benzoic acid, 2-chloro-4-(methylsulfonyl)-
Preferred Name English
2-Chloro-4-(methylsulfonyl)benzoic acid
Systematic Name English
Code System Code Type Description
CAS
53250-83-2
Created by admin on Wed Apr 02 19:16:55 GMT 2025 , Edited by admin on Wed Apr 02 19:16:55 GMT 2025
PRIMARY
PUBCHEM
735863
Created by admin on Wed Apr 02 19:16:55 GMT 2025 , Edited by admin on Wed Apr 02 19:16:55 GMT 2025
PRIMARY
FDA UNII
PM45Q33ZR6
Created by admin on Wed Apr 02 19:16:55 GMT 2025 , Edited by admin on Wed Apr 02 19:16:55 GMT 2025
PRIMARY