CAS
951442-77-6 Purity
96%
951442-77-6 Purity
96%
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Specification
The molecular formula is C11H6N4O4S.
The molecular weight is 290.26 g/mol.
The IUPAC name is 5-nitro-6-(4-nitrophenyl)imidazo[2,1-b][1,3]thiazole.
The InChI is InChI=1S/C11H6N4O4S/c16-14(17)8-3-1-7(2-4-8)9-10(15(18)19)13-5-6-20-11(13)12-9/h1-6H.
The InChIKey is BRKUSHXUPGCTMP-UHFFFAOYSA-N.
It has 0 hydrogen bond donor counts.
The topological polar surface area is 137 Å2.
It has 1 rotatable bond count.
Yes, it is a canonicalized compound.
It was last modified on December 30, 2023.