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Details

Stereochemistry ACHIRAL
Molecular Formula C8H3ClF3NO
Molecular Weight 221.564
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 1
Charge 0

SHOW SMILES / InChI
Structure of 2-Chloro-1-isocyanato-3-(trifluoromethyl)benzene

SMILES

FC(F)(F)C1=CC=CC(N=C=O)=C1Cl

InChI

InChIKey=UHXHJYYNTMWKMG-UHFFFAOYSA-N
InChI=1S/C8H3ClF3NO/c9-7-5(8(10,11)12)2-1-3-6(7)13-4-14/h1-3H

HIDE SMILES / InChI

Approval Year

Unknown
149124
Name Type Language
2-Chloro-3-(trifluoromethyl)phenyl isocyanate
Preferred Name English
2-Chloro-1-isocyanato-3-(trifluoromethyl)benzene
Systematic Name English
Benzene, 2-chloro-1-isocyanato-3-(trifluoromethyl)
Systematic Name English
Code System Code Type Description
FDA UNII
8DYV227ZPD
Created by admin on Wed Apr 02 18:46:23 GMT 2025 , Edited by admin on Wed Apr 02 18:46:23 GMT 2025
PRIMARY
CAS
88330-63-6
Created by admin on Wed Apr 02 18:46:23 GMT 2025 , Edited by admin on Wed Apr 02 18:46:23 GMT 2025
PRIMARY
PUBCHEM
13144015
Created by admin on Wed Apr 02 18:46:23 GMT 2025 , Edited by admin on Wed Apr 02 18:46:23 GMT 2025
PRIMARY
EPA CompTox
DTXSID00521629
Created by admin on Wed Apr 02 18:46:23 GMT 2025 , Edited by admin on Wed Apr 02 18:46:23 GMT 2025
PRIMARY
NIH
NCATS
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