4-(Trifluoromethyl)phenyl isocyanate

1-isocyanato-4-(trifluoromethyl)benzene

CAS: 1548-13-6

Molecular Formula	`C8H4F3NO`
Molecular Weight	187.12 g/mol
LogP	3.6
Topological Polar Surface Area	29.4 A2
Hydrogen Bond Donors	0
Hydrogen Bond Acceptors	5
Rotatable Bonds	1
Exact Mass	187.0245
Heavy Atoms	13
Complexity	212.0

Chemical Identifiers

CAS Number	1548-13-6
SMILES	`C1=CC(=CC=C1C(F)(F)F)N=C=O`
InChIKey	`QZTWVDCKDWZCLV-UHFFFAOYSA-N`

📖 Product Overview

4-(Trifluoromethyl)phenyl isocyanate (CAS: 1548-13-6) is a chemical compound with molecular formula C8H4F3NO and molecular weight 187.12 g/mol. Its IUPAC systematic name is 1-isocyanato-4-(trifluoromethyl)benzene. LogP 3.6 Topological Polar Surface Area 29.4 A2 Hydrogen Bond Donors 0 Hydrogen Bond Acceptors 5 Rotatable Bonds 1 Exact Mass 187.0245 Heavy Atoms 13 Complexity 212.0 InChI Key: QZTWVDCKDWZCLV-UHFFFAOYSA-N. SMILES: C1=CC(=CC=C1C(F)(F)F)N=C=O.

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