5-Bromo-1-(phenylsulfonyl)-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrrolo[2,3-b]pyridine

Name: 5-Bromo-1-(phenylsulfonyl)-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrrolo[2,3-b]pyridine
SKU: ACMA00014858
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Catalog NumberACMA00014858

CategorySalt

IUPAC Name

1-(benzenesulfonyl)-5-bromo-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrolo[2,3-b]pyridine

Molecular Weight

463.2g/mol

Molecular Formula

C19H20BBrN2O4S

Canonical SMILES

B1(OC(C(O1)(C)C)(C)C)C2=CC3=CC(=CN=C3N2S(=O)(=O)C4=CC=CC=C4)Br

InChI

InChI=1S/C19H20BBrN2O4S/c1-18(2)19(3,4)27-20(26-18)16-11-13-10-14(21)12-22-17(13)23(16)28(24,25)15-8-6-5-7-9-15/h5-12H,1-4H3

InChI Key

PMNOOVGXJBZJDC-UHFFFAOYSA-N

Complexity

677

Covalently-Bonded Unit Count

Exact Mass

462.04202g/mol

Formal Charge

Heavy Atom Count

Monoisotopic Mass

462.04202g/mol

Rotatable Bond Count

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