3-Chloro-4-[(trifluoromethyl)thio]phenyl isocyanate

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Catalog Number
ACM76729414
Product Name
3-Chloro-4-[(trifluoromethyl)thio]phenyl isocyanate
Structure
Structure
CAS
76729-41-4
Category
Heterocyclic Organic Compound
Synonyms
2-Chloro-4-isocyanatophenyl trifluoromethyl sulphide, 2-Chloro-4-isocyanato-1-[(trifluoromethyl)thio]benzene
IUPAC Name
2-chloro-4-isocyanato-1-(trifluoromethylsulfanyl)benzene
Molecular Weight
253.6307
Molecular Formula
C8H3ClF3NOS
Canonical SMILES
C1=CC(=C(C=C1N=C=O)Cl)SC(F)(F)F
InChI Key
QRTGGBWQVAPQNT-UHFFFAOYSA-N
Exact Mass
252.95800
H-Bond Acceptor
6
H-Bond Donor
0
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