348169-39-1 Purity
96%
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Specification
The molecular formula is C14H11BrN2O2S.
The molecular weight is 351.22 g/mol.
The IUPAC name is 4-bromo-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridine.
The InChI is InChI=1S/C14H11BrN2O2S/c1-10-2-4-11(5-3-10)20(18,19)17-9-7-12-13(15)6-8-16-14(12)17/h2-9H,1H3.
The InChIKey is JNQDFMCSRQUCQM-UHFFFAOYSA-N.
The canonical SMILES is CC1=CC=C(C=C1)S(=O)(=O)N2C=CC3=C(C=CN=C32)Br.
The CAS number is 348640-07-3.
The XLogP3-AA value is 3.5.
It has 0 hydrogen bond donor counts.
It has 3 hydrogen bond acceptor counts.