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

Details

Stereochemistry ACHIRAL
Molecular Formula C11H6ClFNO3.K
Molecular Weight 293.72
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of POTASSIUM 3-(2-CHLORO-6-FLUOROPHENYL)-5-METHYLISOXAZOLE-4-CARBOXYLATE

SMILES

[K+].CC1=C(C([O-])=O)C(=NO1)C2=C(F)C=CC=C2Cl

InChI

InChIKey=WSVNCRYFLWGXLZ-UHFFFAOYSA-M
InChI=1S/C11H7ClFNO3.K/c1-5-8(11(15)16)10(14-17-5)9-6(12)3-2-4-7(9)13;/h2-4H,1H3,(H,15,16);/q;+1/p-1

HIDE SMILES / InChI

Molecular Formula C11H6ClFNO3
Molecular Weight 254.622
Charge -1
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Molecular Formula K
Molecular Weight 39.0983
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 Tue Apr 01 19:26:49 GMT 2025
Edited
by admin
on Tue Apr 01 19:26:49 GMT 2025
Record UNII
Y8888X0EQV
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
4-ISOXAZOLECARBOXYLIC ACID, 3-(2-CHLORO-6-FLUOROPHENYL)-5-METHYL-, POTASSIUM SALT (1:1)
Preferred Name English
POTASSIUM 3-(2-CHLORO-6-FLUOROPHENYL)-5-METHYLISOXAZOLE-4-CARBOXYLATE
Systematic Name English
Code System Code Type Description
EPA CompTox
DTXSID70232699
Created by admin on Tue Apr 01 19:26:49 GMT 2025 , Edited by admin on Tue Apr 01 19:26:49 GMT 2025
PRIMARY
PUBCHEM
23662483
Created by admin on Tue Apr 01 19:26:49 GMT 2025 , Edited by admin on Tue Apr 01 19:26:49 GMT 2025
PRIMARY
FDA UNII
Y8888X0EQV
Created by admin on Tue Apr 01 19:26:49 GMT 2025 , Edited by admin on Tue Apr 01 19:26:49 GMT 2025
PRIMARY
ECHA (EC/EINECS)
280-949-7
Created by admin on Tue Apr 01 19:26:49 GMT 2025 , Edited by admin on Tue Apr 01 19:26:49 GMT 2025
PRIMARY
CAS
83817-49-6
Created by admin on Tue Apr 01 19:26:49 GMT 2025 , Edited by admin on Tue Apr 01 19:26:49 GMT 2025
PRIMARY