U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS

Details

Stereochemistry ACHIRAL
Molecular Formula C6H4FNO5S
Molecular Weight 221.163
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 4-Fluoro-3-nitrobenzenesulfonic acid

SMILES

OS(=O)(=O)C1=CC=C(F)C(=C1)[N+]([O-])=O

InChI

InChIKey=OOJWQLSHYOELSK-UHFFFAOYSA-N
InChI=1S/C6H4FNO5S/c7-5-2-1-4(14(11,12)13)3-6(5)8(9)10/h1-3H,(H,11,12,13)

HIDE SMILES / InChI

Molecular Formula C6H4FNO5S
Molecular Weight 221.163
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 19:21:50 GMT 2025
Edited
by admin
on Wed Apr 02 19:21:50 GMT 2025
Record UNII
TAF68U2R8R
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
Benzenesulfonic acid, 4-fluoro-3-nitro-
Preferred Name English
4-Fluoro-3-nitrobenzenesulfonic acid
Systematic Name English
Code System Code Type Description
CAS
3888-84-4
Created by admin on Wed Apr 02 19:21:50 GMT 2025 , Edited by admin on Wed Apr 02 19:21:50 GMT 2025
PRIMARY
PUBCHEM
77498
Created by admin on Wed Apr 02 19:21:50 GMT 2025 , Edited by admin on Wed Apr 02 19:21:50 GMT 2025
PRIMARY
FDA UNII
TAF68U2R8R
Created by admin on Wed Apr 02 19:21:50 GMT 2025 , Edited by admin on Wed Apr 02 19:21:50 GMT 2025
PRIMARY