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Details

Stereochemistry ACHIRAL
Molecular Formula C8H3F3N2O3
Molecular Weight 232.1162
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 1
Charge 0

SHOW SMILES / InChI
Structure of 4-NITRO-3-(TRIFLUOROMETHYL)PHENYL ISOCYANATE

SMILES

[O-][N+](=O)C1=CC=C(C=C1C(F)(F)F)N=C=O

InChI

InChIKey=YCZPVAWKLUWQBP-UHFFFAOYSA-N
InChI=1S/C8H3F3N2O3/c9-8(10,11)6-3-5(12-4-14)1-2-7(6)13(15)16/h1-3H

HIDE SMILES / InChI

Approval Year

Unknown
149124
Name Type Language
4-NITRO-3-(TRIFLUOROMETHYL)PHENYL ISOCYANATE
Systematic Name English
BENZENE, 4-ISOCYANATO-1-NITRO-2-(TRIFLUOROMETHYL)-
Preferred Name English
Code System Code Type Description
FDA UNII
J64U0NU37E
Created by admin on Mon Mar 31 18:05:07 GMT 2025 , Edited by admin on Mon Mar 31 18:05:07 GMT 2025
PRIMARY
CAS
16588-72-0
Created by admin on Mon Mar 31 18:05:07 GMT 2025 , Edited by admin on Mon Mar 31 18:05:07 GMT 2025
PRIMARY
PUBCHEM
15342561
Created by admin on Mon Mar 31 18:05:07 GMT 2025 , Edited by admin on Mon Mar 31 18:05:07 GMT 2025
PRIMARY
EPA CompTox
DTXSID20571762
Created by admin on Mon Mar 31 18:05:07 GMT 2025 , Edited by admin on Mon Mar 31 18:05:07 GMT 2025
PRIMARY
NIH
NCATS
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