94569-84-3 Purity
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Specification
The molecular formula is C11H4BrF6N.
The molecular weight is 344.05 g/mol.
It was created on September 13, 2005.
The IUPAC name is 4-bromo-2,8-bis(trifluoromethyl)quinoline.
The InChI is InChI=1S/C11H4BrF6N/c12-7-4-8(11(16,17)18)19-9-5(7)2-1-3-6(9)10(13,14)15/h1-4H.
The InChIKey is DXALAFAFIXJDOS-UHFFFAOYSA-N.
The Canonical SMILES is C1=CC2=C(C(=C1)C(F)(F)F)N=C(C=C2Br)C(F)(F)F.
The CAS number is 35853-45-3.
The XLogP3-AA value is 4.7.
Yes, it is a canonicalized compound.