CAS
875781-18-3 Purity
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875781-18-3 Purity
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Specification
The molecular formula is C13H9BrIN3O2S.
The molecular weight is 478.10 g/mol.
The IUPAC name is 2-bromo-7-iodo-5-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyrazine.
The InChI is InChI=1S/C13H9BrIN3O2S/c1-8-2-4-9(5-3-8)21(19,20)18-7-10(15)12-13(18)16-6-11(14)17-12/h2-7H,1H3.
The InChIKey is QONWBLJGJMTBKI-UHFFFAOYSA-N.
The canonical SMILES is CC1=CC=C(C=C1)S(=O)(=O)N2C=C(C3=NC(=CN=C32)Br)I.
The CAS number is 875781-45-6.
It has 0 hydrogen bond donor counts.
It has 4 hydrogen bond acceptor counts.