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The molecular formula is C7H4BrNO2S.
The molecular weight is 246.08 g/mol.
The IUPAC name is 5-bromo-2,3-dihydrothieno[3,4-b][1,4]dioxine-7-carbonitrile.
The InChI code is InChI=1S/C7H4BrNO2S/c8-7-6-5(4(3-9)12-7)10-1-2-11-6/h1-2H2.
The InChIKey is CNYIRGSQBVJHBW-UHFFFAOYSA-N.
The canonical SMILES is C1COC2=C(SC(=C2O1)C#N)Br.
The CAS number is 884507-59-9.
The DSSTox Substance ID is DTXSID70594643.
The XLogP3-AA value is 2.4.
Yes, the compound is considered to be canonicalized.
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