Indole-4-boronic acid pinacol ester

• Catalog Number: ACM388116276
• Product Name: Indole-4-boronic acid pinacol ester
• CAS: 388116-27-6
• Category: Boronic Esters
• IUPAC Name: 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-indole
• Molecular Weight: 243.11g/mol
• Molecular Formula: C14H18BNO2
• Canonical SMILES: B1(OC(C(O1)(C)C)(C)C)C2=C3C=CNC3=CC=C2
• InChI: InChI=1S/C14H18BNO2/c1-13(2)14(3,4)18-15(17-13)11-6-5-7-12-10(11)8-9-16-12/h5-9,16H,1-4H3
• InChI Key: QDCIXBBEUHMLDN-UHFFFAOYSA-N
• Complexity: 316
• Covalently-Bonded Unit Count: 1
• Exact Mass: 243.143059g/mol
• Formal Charge: 0
• H-Bond Acceptor: 2
• H-Bond Donor: 1
• Heavy Atom Count: 18
• Monoisotopic Mass: 243.143059g/mol
• Rotatable Bond Count: 1