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Details

Stereochemistry ACHIRAL
Molecular Formula C8H4F3NO
Molecular Weight 187.1187
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 1
Charge 0

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

SMILES

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

InChI

InChIKey=SXJYSIBLFGQAND-UHFFFAOYSA-N
InChI=1S/C8H4F3NO/c9-8(10,11)6-2-1-3-7(4-6)12-5-13/h1-4H

HIDE SMILES / InChI

Molecular Formula C8H4F3NO
Molecular Weight 187.1187
Charge 0
Count
MOL RATIO 1 MOL RATIO (average)
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 1
Optical Activity NONE

Approval Year

Substance Class Chemical
Record UNII
QPS7LLZ6XM
Record Status Validated (UNII)
Record Version