96122-66-6 Purity
96%
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Specification
The molecular formula of the compound is C11H8ClN3O2S.
The IUPAC name of the compound is 6-(3-chloro-2-nitrophenyl)-7,7a-dihydroimidazo[2,1-b][1,3]thiazole.
The molecular weight of the compound is 281.72 g/mol.
The InChI of the compound is: InChI=1S/C11H8ClN3O2S/c12-8-3-1-2-7(10(8)15(16)17)9-6-14-4-5-18-11(14)13-9/h1-6,11,13H.
The InChIKey of the compound is AOFLGOBDVZPZJD-UHFFFAOYSA-N.
The canonical SMILES of the compound is C1=CC(=C(C(=C1)Cl)[N+](=O)[O-])C2=CN3C=CSC3N2.
The XLogP3-AA value of the compound is 3.2.
The compound has 1 hydrogen bond donor count.
The compound has 5 hydrogen bond acceptor counts.
The compound has 1 rotatable bond count.