1-(Phenylsulfonyl)indole-3-boronic acid pinacol ester

• Catalog Number: ACM870717934-1
• Product Name: 1-(Phenylsulfonyl)indole-3-boronic acid pinacol ester
• CAS: 870717-93-4
• Category: Boronic Esters
• IUPAC Name: 1-(benzenesulfonyl)-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indole
• Molecular Weight: 383.3g/mol
• Molecular Formula: C20H22BNO4S
• Canonical SMILES: B1(OC(C(O1)(C)C)(C)C)C2=CN(C3=CC=CC=C23)S(=O)(=O)C4=CC=CC=C4
• InChI: InChI=1S/C20H22BNO4S/c1-19(2)20(3,4)26-21(25-19)17-14-22(18-13-9-8-12-16(17)18)27(23,24)15-10-6-5-7-11-15/h5-14H,1-4H3
• InChI Key: OMZLHWZHHPAZPW-UHFFFAOYSA-N
• Complexity: 637
• Covalently-Bonded Unit Count: 1
• Exact Mass: 383.136259g/mol
• Formal Charge: 0
• H-Bond Acceptor: 4
• H-Bond Donor: 0
• Heavy Atom Count: 27
• Monoisotopic Mass: 383.136259g/mol
• Rotatable Bond Count: 3