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The molecular formula is C9H6Br2N2O2S.
It was created on 2009-05-28 and last modified on 2023-12-30.
The IUPAC name is 4-bromo-1-(2-bromophenyl)sulfonylpyrazole.
The InChI is InChI=1S/C9H6Br2N2O2S/c10-7-5-12-13(6-7)16(14,15)9-4-2-1-3-8(9)11/h1-6H.
The InChIKey is SWTMIZJXKCERLX-UHFFFAOYSA-N.
The canonical SMILES notation is C1=CC=C(C(=C1)S(=O)(=O)N2C=C(C=N2)Br)Br.
It has 3 hydrogen bond acceptor counts.
The topological polar surface area is 60.3 Ų.
There are 16 heavy atoms present.
Yes, the compound is canonicalized.
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