CAS
91990-52-2 Purity
80.0%
91990-52-2 Purity
80.0%
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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)-8-(trifluoromethyl)quinoline.
The InChI is InChI=1S/C11H4Cl4F3N/c12-7-4-8(10(13,14)15)19-9-5(7)2-1-3-6(9)11(16,17)18/h1-4H.
The Canonical SMILES is C1=CC2=C(C(=C1)C(F)(F)F)N=C(C=C2Cl)C(Cl)(Cl)Cl.
The XLogP3-AA value is 5.4.
It has 4 hydrogen bond acceptor counts.
The topological polar surface area is 12.9 Ų.
It has 19 heavy atoms.
Yes, it is a canonicalized compound.