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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 1-CHLORO-4-ISOCYANATO-2-(TRIFLUOROMETHYL)BENZENE

SMILES

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

InChI

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

HIDE SMILES / InChI

Molecular Formula C8H3ClF3NO
Molecular Weight 221.564
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 1
Optical Activity NONE

Approval Year

Substance Class Chemical
Created
by admin
on Mon Mar 31 23:43:50 GMT 2025
Edited
by admin
on Mon Mar 31 23:43:50 GMT 2025
Record UNII
6TE36JKP7L
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
1-CHLORO-4-ISOCYANATO-2-(TRIFLUOROMETHYL)BENZENE
Systematic Name English
1-CHLORO-4-ISOCYANATO-2-(TRIFLUOROMETHYL) BENZENE
Preferred Name English
BENZENE, 1-CHLORO-4-ISOCYANATO-2-(TRIFLUOROMETHYL)-
Systematic Name English
Code System Code Type Description
FDA UNII
6TE36JKP7L
Created by admin on Mon Mar 31 23:43:50 GMT 2025 , Edited by admin on Mon Mar 31 23:43:50 GMT 2025
PRIMARY
PUBCHEM
2733265
Created by admin on Mon Mar 31 23:43:50 GMT 2025 , Edited by admin on Mon Mar 31 23:43:50 GMT 2025
PRIMARY