944581-06-0 Purity
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Specification
The molecular formula is C11H6BrFN2S.
It was created on 2008-10-27 and last modified on 2023-12-30.
The molecular weight is 297.15 g/mol.
The IUPAC name is 2-bromo-6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazole.
The InChI is InChI=1S/C11H6BrFN2S/c12-10-6-15-5-9(14-11(15)16-10)7-1-3-8(13)4-2-7/h1-6H.
The InChIKey is CHVFUSYHQNEBHV-UHFFFAOYSA-N.
The Canonical SMILES is C1=CC(=CC=C1C2=CN3C=C(SC3=N2)Br)F.
The XLogP3-AA value is 4.6.
It has 3 hydrogen bond acceptor counts.
Yes, the compound is canonicalized.