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

Details

Stereochemistry ACHIRAL
Molecular Formula C7H4BF3NO.K
Molecular Weight 225.017
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of Potassium (3-cyano-2-hydroxyphenyl)trifluoroborate

SMILES

[K+].OC1=C(C=CC=C1[B-](F)(F)F)C#N

InChI

InChIKey=FHUDTLZWSDIUFB-UHFFFAOYSA-N
InChI=1S/C7H4BF3NO.K/c9-8(10,11)6-3-1-2-5(4-12)7(6)13;/h1-3,13H;/q-1;+1

HIDE SMILES / InChI

Molecular Formula C7H4BF3NO
Molecular Weight 185.919
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 Wed Apr 02 19:50:55 GMT 2025
Edited
by admin
on Wed Apr 02 19:50:55 GMT 2025
Record UNII
MRR4T7W7T4
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
Borate(1-), trifluoro(2-hydroxy-3-cyanophenyl)-, potassium (1:1), (T-4)-
Preferred Name English
Potassium (3-cyano-2-hydroxyphenyl)trifluoroborate
Systematic Name English
Code System Code Type Description
CAS
2361216-94-4
Created by admin on Wed Apr 02 19:50:55 GMT 2025 , Edited by admin on Wed Apr 02 19:50:55 GMT 2025
PRIMARY
FDA UNII
MRR4T7W7T4
Created by admin on Wed Apr 02 19:50:55 GMT 2025 , Edited by admin on Wed Apr 02 19:50:55 GMT 2025
PRIMARY
PUBCHEM
155672208
Created by admin on Wed Apr 02 19:50:55 GMT 2025 , Edited by admin on Wed Apr 02 19:50:55 GMT 2025
PRIMARY