96125-49-4 Purity
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The molecular formula is C11H6ClN3O2S.
The molecular weight is 279.70 g/mol.
The IUPAC name is 6-(4-chlorophenyl)-5-nitroimidazo[2,1-b][1,3]thiazole.
The InChI is InChI=1S/C11H6ClN3O2S/c12-8-3-1-7(2-4-8)9-10(15(16)17)14-5-6-18-11(14)13-9/h1-6H.
The InChIKey is VRDXZMZDTCQVBV-UHFFFAOYSA-N.
The canonical SMILES representation is C1=CC(=CC=C1C2=C(N3C=CSC3=N2)[N+](=O)[O-])Cl.
Some synonyms include 106671-89-0, Imidazo(2,1-b)thiazole, 6-(p-chlorophenyl)-5-nitro, and NJ71XO4SC7.
The XLogP3-AA value is 4.3.
It has 4 hydrogen bond acceptors.
Yes, the compound is canonicalized.