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Details

Stereochemistry ACHIRAL
Molecular Formula C14H7ClF3O3.K
Molecular Weight 354.75
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of POTASSIUM 3-(2-CHLORO-4-(TRIFLUOROMETHYL)PHENOXY)BENZOATE

SMILES

[K+].[O-]C(=O)C1=CC(OC2=C(Cl)C=C(C=C2)C(F)(F)F)=CC=C1

InChI

InChIKey=VAZYMILEEQHBII-UHFFFAOYSA-M
InChI=1S/C14H8ClF3O3.K/c15-11-7-9(14(16,17)18)4-5-12(11)21-10-3-1-2-8(6-10)13(19)20;/h1-7H,(H,19,20);/q;+1/p-1

HIDE SMILES / InChI

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

Molecular Formula C14H7ClF3O3
Molecular Weight 315.652
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 Sat Dec 16 11:24:15 GMT 2023
Edited
by admin
on Sat Dec 16 11:24:15 GMT 2023
Record UNII
9R53X6515M
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
POTASSIUM 3-(2-CHLORO-4-(TRIFLUOROMETHYL)PHENOXY)BENZOATE
Systematic Name English
J447.121K
Code English
BENZOIC ACID, 3-(2-CHLORO-4-(TRIFLUOROMETHYL)PHENOXY)-, POTASSIUM SALT
Common Name English
BENZOIC ACID, 3-(2-CHLORO-4-(TRIFLUOROMETHYL)PHENOXY)-, POTASSIUM SALT (1:1)
Systematic Name English
3-(2-CHLORO-4-(TRIFLUOROMETHYL)PHENOXY)BENZOIC ACID POTASSIUM SALT
Systematic Name English
Code System Code Type Description
CAS
72252-48-3
Created by admin on Sat Dec 16 11:24:15 GMT 2023 , Edited by admin on Sat Dec 16 11:24:15 GMT 2023
PRIMARY
PUBCHEM
23673685
Created by admin on Sat Dec 16 11:24:15 GMT 2023 , Edited by admin on Sat Dec 16 11:24:15 GMT 2023
PRIMARY
EPA CompTox
DTXSID3029025
Created by admin on Sat Dec 16 11:24:15 GMT 2023 , Edited by admin on Sat Dec 16 11:24:15 GMT 2023
PRIMARY
FDA UNII
9R53X6515M
Created by admin on Sat Dec 16 11:24:15 GMT 2023 , Edited by admin on Sat Dec 16 11:24:15 GMT 2023
PRIMARY
Related Record Type Details
PARENT -> SALT/SOLVATE