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Details

Stereochemistry ACHIRAL
Molecular Formula C8H4F3NO2
Molecular Weight 203.1181
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 1
Charge 0

SHOW SMILES / InChI
Structure of 4-Hydroxy-3-(trifluoromethyl)phenylisocyanate

SMILES

OC1=C(C=C(C=C1)N=C=O)C(F)(F)F

InChI

InChIKey=GLXHJGORHKNCMN-UHFFFAOYSA-N
InChI=1S/C8H4F3NO2/c9-8(10,11)6-3-5(12-4-13)1-2-7(6)14/h1-3,14H

HIDE SMILES / InChI

Approval Year

Unknown
149124
Name Type Language
4-Isocyanato-2-(trifluoromethyl)phenol
Preferred Name English
4-Hydroxy-3-(trifluoromethyl)phenylisocyanate
Systematic Name English
Phenol, 4-isocyanato-2-(trifluoromethyl)
Systematic Name English
Code System Code Type Description
CAS
1261456-08-9
Created by admin on Wed Apr 02 17:31:32 GMT 2025 , Edited by admin on Wed Apr 02 17:31:32 GMT 2025
PRIMARY
FDA UNII
XQQ65TQU45
Created by admin on Wed Apr 02 17:31:32 GMT 2025 , Edited by admin on Wed Apr 02 17:31:32 GMT 2025
PRIMARY
PUBCHEM
118816251
Created by admin on Wed Apr 02 17:31:32 GMT 2025 , Edited by admin on Wed Apr 02 17:31:32 GMT 2025
PRIMARY
NIH
NCATS
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