912617-68-6 Purity
96%
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Specification
The molecular formula of 4-Chloro-5-fluoro-1-(phenylsulfonyl)-1H-pyrrolo[2,3-b]pyridine is C13H8ClFN2O2S.
The molecular weight of 4-Chloro-5-fluoro-1-(phenylsulfonyl)-1H-pyrrolo[2,3-b]pyridine is 310.73 g/mol.
The IUPAC name of 4-Chloro-5-fluoro-1-(phenylsulfonyl)-1H-pyrrolo[2,3-b]pyridine is 1-(benzenesulfonyl)-4-chloro-5-fluoropyrrolo[2,3-b]pyridine.
The InChI of 4-Chloro-5-fluoro-1-(phenylsulfonyl)-1H-pyrrolo[2,3-b]pyridine is InChI=1S/C13H8ClFN2O2S/c14-12-10-6-7-17(13(10)16-8-11(12)15)20(18,19)9-4-2-1-3-5-9/h1-8H.
The InChIKey of 4-Chloro-5-fluoro-1-(phenylsulfonyl)-1H-pyrrolo[2,3-b]pyridine is QSUVWTPAECZSPS-UHFFFAOYSA-N.
The canonical SMILES of 4-Chloro-5-fluoro-1-(phenylsulfonyl)-1H-pyrrolo[2,3-b]pyridine is C1=CC=C(C=C1)S(=O)(=O)N2C=CC3=C(C(=CN=C32)F)Cl.
The CAS number of 4-Chloro-5-fluoro-1-(phenylsulfonyl)-1H-pyrrolo[2,3-b]pyridine is 1228665-75-5.
The DSSTox Substance ID of 4-Chloro-5-fluoro-1-(phenylsulfonyl)-1H-pyrrolo[2,3-b]pyridine is DTXSID70678432.
Yes, 4-Chloro-5-fluoro-1-(phenylsulfonyl)-1H-pyrrolo[2,3-b]pyridine is a canonicalized compound according to PubChem.