CAS
91990-88-4 Purity
96%
91990-88-4 Purity
96%
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Specification
The molecular formula is C11H4Cl4F3N.
The molecular weight is 349.0 g/mol.
The IUPAC name is 4-chloro-2-(trichloromethyl)-6-(trifluoromethyl)quinoline.
The InChI is InChI=1S/C11H4Cl4F3N/c12-7-4-9(10(13,14)15)19-8-2-1-5(3-6(7)8)11(16,17)18/h1-4H.
The InChIKey is PWFMSBSBMGUFFI-UHFFFAOYSA-N.
The canonical SMILES is C1=CC2=C(C=C1C(F)(F)F)C(=CC(=N2)C(Cl)(Cl)Cl)Cl.
The CAS number is 91991-82-1.
The EC number is 804-531-6.
It has 4 hydrogen bond acceptor counts.
Yes, it is a canonical compound.