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

Details

Stereochemistry ACHIRAL
Molecular Formula C13H7ClF3NO4
Molecular Weight 333.647
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 5-(2-CHLORO-4-TRIFLUOROMETHYLPHENOXY)-2-NITROPHENOL

SMILES

OC1=CC(OC2=CC=C(C=C2Cl)C(F)(F)F)=CC=C1[N+]([O-])=O

InChI

InChIKey=WYTRKEWETULQOA-UHFFFAOYSA-N
InChI=1S/C13H7ClF3NO4/c14-9-5-7(13(15,16)17)1-4-12(9)22-8-2-3-10(18(20)21)11(19)6-8/h1-6,19H

HIDE SMILES / InChI

Molecular Formula C13H7ClF3NO4
Molecular Weight 333.647
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 Fri Dec 15 18:11:58 GMT 2023
Edited
by admin
on Fri Dec 15 18:11:58 GMT 2023
Record UNII
LC291UD66S
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
5-(2-CHLORO-4-TRIFLUOROMETHYLPHENOXY)-2-NITROPHENOL
Systematic Name English
PHENOL, 5-(2-CHLORO-4-(TRIFLUOROMETHYL)PHENOXY)-2-NITRO-
Systematic Name English
2-CHLORO-4-(TRIFLUOROMETHYL)-3'-HYDROXY-4'-NITRODIPHENYL ETHER
Common Name English
5-(O-CHLORO-P-TRIFLUOROMETHYLPHENOXY)-2-NITROPHENOL
Common Name English
5-((2-CHLORO-.ALPHA.,.ALPHA.,.ALPHA.-TRIFLUORO-P-TOLYL)OXY)-2-NITROPHENOL
Common Name English
2-CHLORO-1-(3-HYDROXY-4-NITROPHENOXY)-4-(TRIFLUOROMETHYL)BENZENE
Systematic Name English
Code System Code Type Description
EPA CompTox
DTXSID2042278
Created by admin on Fri Dec 15 18:11:58 GMT 2023 , Edited by admin on Fri Dec 15 18:11:58 GMT 2023
PRIMARY
PUBCHEM
162064
Created by admin on Fri Dec 15 18:11:58 GMT 2023 , Edited by admin on Fri Dec 15 18:11:58 GMT 2023
PRIMARY
FDA UNII
LC291UD66S
Created by admin on Fri Dec 15 18:11:58 GMT 2023 , Edited by admin on Fri Dec 15 18:11:58 GMT 2023
PRIMARY
ECHA (EC/EINECS)
255-984-6
Created by admin on Fri Dec 15 18:11:58 GMT 2023 , Edited by admin on Fri Dec 15 18:11:58 GMT 2023
PRIMARY
CAS
42874-63-5
Created by admin on Fri Dec 15 18:11:58 GMT 2023 , Edited by admin on Fri Dec 15 18:11:58 GMT 2023
PRIMARY