1099687-03-2 Purity
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The molecular formula is C14H10BrIN2O2S.
The synonyms are 1256792-00-3, 5-Bromo-2-iodo-1-tosyl-1H-pyrrolo[2,3-b]pyridine, DTXSID40733800, and 5-Bromo-2-iodo-1-(4-methylbenzene-1-sulfonyl)-1H-pyrrolo[2,3-b]pyridine.
The molecular weight is 477.12 g/mol.
The compound was created on August 27, 2012, and last modified on December 2, 2023.
The IUPAC name is 5-bromo-2-iodo-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridine.
The InChI of the compound is InChI=1S/C14H10BrIN2O2S/c1-9-2-4-12(5-3-9)21(19,20)18-13(16)7-10-6-11(15)8-17-14(10)18/h2-8H,1H3.
The InChIKey is PMHXNCWWZDFZCC-UHFFFAOYSA-N.
The Canonical SMILES is CC1=CC=C(C=C1)S(=O)(=O)N2C(=CC3=CC(=CN=C32)Br)I.
The CAS number is 1256792-00-3.
Yes, the compound is canonicalized.