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

Details

Stereochemistry ACHIRAL
Molecular Formula C15H10ClF3O3
Molecular Weight 330.686
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 3-(2-CHLORO-4-(TRIFLUOROMETHYL)PHENOXY)PHENOL 1-ACETATE

SMILES

CC(=O)OC1=CC(OC2=C(Cl)C=C(C=C2)C(F)(F)F)=CC=C1

InChI

InChIKey=KNFRYRRZMRETJX-UHFFFAOYSA-N
InChI=1S/C15H10ClF3O3/c1-9(20)21-11-3-2-4-12(8-11)22-14-6-5-10(7-13(14)16)15(17,18)19/h2-8H,1H3

HIDE SMILES / InChI

Molecular Formula C15H10ClF3O3
Molecular Weight 330.686
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 Sat Dec 16 08:29:38 GMT 2023
Edited
by admin
on Sat Dec 16 08:29:38 GMT 2023
Record UNII
7T2IS4PR1X
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
3-(2-CHLORO-4-(TRIFLUOROMETHYL)PHENOXY)PHENOL 1-ACETATE
Common Name English
PHENOL, 3-(2-CHLORO-4-(TRIFLUOROMETHYL)PHENOXY)-, ACETATE
Systematic Name English
M-((2-CHLORO-.ALPHA.,.ALPHA.,.ALPHA.-TRIFLUORO-P-TOLYL)OXY)PHENYL ACETATE
Common Name English
PHENOL, 3-(2-CHLORO-4-(TRIFLUOROMETHYL)PHENOXY)-, 1-ACETATE
Systematic Name English
Code System Code Type Description
EPA CompTox
DTXSID7028019
Created by admin on Sat Dec 16 08:29:38 GMT 2023 , Edited by admin on Sat Dec 16 08:29:38 GMT 2023
PRIMARY
FDA UNII
7T2IS4PR1X
Created by admin on Sat Dec 16 08:29:38 GMT 2023 , Edited by admin on Sat Dec 16 08:29:38 GMT 2023
PRIMARY
CAS
50594-77-9
Created by admin on Sat Dec 16 08:29:38 GMT 2023 , Edited by admin on Sat Dec 16 08:29:38 GMT 2023
PRIMARY
ECHA (EC/EINECS)
256-635-0
Created by admin on Sat Dec 16 08:29:38 GMT 2023 , Edited by admin on Sat Dec 16 08:29:38 GMT 2023
PRIMARY
PUBCHEM
93253
Created by admin on Sat Dec 16 08:29:38 GMT 2023 , Edited by admin on Sat Dec 16 08:29:38 GMT 2023
PRIMARY