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Details

Stereochemistry ACHIRAL
Molecular Formula C6H6ClNO3S
Molecular Weight 207.635
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 4-CHLOROMETANILIC ACID

SMILES

NC1=C(Cl)C=CC(=C1)S(O)(=O)=O

InChI

InChIKey=XJQRCFRVWZHIPN-UHFFFAOYSA-N
InChI=1S/C6H6ClNO3S/c7-5-2-1-4(3-6(5)8)12(9,10)11/h1-3H,8H2,(H,9,10,11)

HIDE SMILES / InChI

Molecular Formula C6H6ClNO3S
Molecular Weight 207.635
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 19:22:10 GMT 2025
Edited
by admin
on Tue Apr 01 19:22:10 GMT 2025
Record UNII
4MB9E88J9W
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
NSC-59702
Preferred Name English
4-CHLOROMETANILIC ACID
Systematic Name English
METANILIC ACID, 4-CHLORO-
Systematic Name English
3-AMINO-4-CHLOROBENZENESULFONIC ACID
Systematic Name English
BENZENESULPHONIC ACID, 3-AMINO-4-CHLORO-
Systematic Name English
BENZENESULFONIC ACID, 3-AMINO-4-CHLORO-
Systematic Name English
3-AMINO-4-CHLOROBENZENESULPHONIC ACID
Systematic Name English
Code System Code Type Description
NSC
59702
Created by admin on Tue Apr 01 19:22:10 GMT 2025 , Edited by admin on Tue Apr 01 19:22:10 GMT 2025
PRIMARY
FDA UNII
4MB9E88J9W
Created by admin on Tue Apr 01 19:22:10 GMT 2025 , Edited by admin on Tue Apr 01 19:22:10 GMT 2025
PRIMARY
CAS
98-36-2
Created by admin on Tue Apr 01 19:22:10 GMT 2025 , Edited by admin on Tue Apr 01 19:22:10 GMT 2025
PRIMARY
ECHA (EC/EINECS)
202-661-2
Created by admin on Tue Apr 01 19:22:10 GMT 2025 , Edited by admin on Tue Apr 01 19:22:10 GMT 2025
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EPA CompTox
DTXSID4059170
Created by admin on Tue Apr 01 19:22:10 GMT 2025 , Edited by admin on Tue Apr 01 19:22:10 GMT 2025
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PUBCHEM
66817
Created by admin on Tue Apr 01 19:22:10 GMT 2025 , Edited by admin on Tue Apr 01 19:22:10 GMT 2025
PRIMARY