1H-Pyrrolo[3,2-B]pyridine-6-boronicacidpinacolester

• Catalog Number: ACM1045855911
• Product Name: 1H-Pyrrolo[3,2-B]pyridine-6-boronicacidpinacolester
• CAS: 1045855-91-1
• Category: Boronic Esters
• IUPAC Name: 6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrrolo[3,2-b]pyridine
• Molecular Weight: 244.1g/mol
• Molecular Formula: C13H17BN2O2
• Canonical SMILES: B1(OC(C(O1)(C)C)(C)C)C2=CC3=C(C=CN3)N=C2
• InChI: InChI=1S/C13H17BN2O2/c1-12(2)13(3,4)18-14(17-12)9-7-11-10(16-8-9)5-6-15-11/h5-8,15H,1-4H3
• InChI Key: LVVACKKTPDWXJM-UHFFFAOYSA-N
• Complexity: 319
• Covalently-Bonded Unit Count: 1
• Exact Mass: 244.138308g/mol
• Formal Charge: 0
• H-Bond Acceptor: 3
• H-Bond Donor: 1
• Heavy Atom Count: 18
• Monoisotopic Mass: 244.138308g/mol
• Rotatable Bond Count: 1