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Specification
The molecular formula is C6H5BrN2O2S.
The molecular weight is 249.09 g/mol.
The IUPAC name is imidazo[2,1-b][1,3]thiazole-6-carboxylic acid;hydrobromide.
The InChI is InChI=1S/C6H4N2O2S.BrH/c9-5(10)4-3-8-1-2-11-6(8)7-4;/h1-3H,(H,9,10);1H.
The InChIKey is RAVYQOPXHWEAFU-UHFFFAOYSA-N.
The canonical SMILES is C1=CSC2=NC(=CN21)C(=O)O.Br.
The CAS number is 725234-39-9.
The hydrogen bond donor count is 2.
The hydrogen bond acceptor count is 4.
Yes, Imidazo[2,1-b]thiazole-6-carboxylic acid hydrobromide is a canonicalized compound.
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