4-(Morpholine-4-carbonyl)phenylboronic acid pinacol ester

• Catalog Number: ACM656239382-1
• Product Name: 4-(Morpholine-4-carbonyl)phenylboronic acid pinacol ester
• CAS: 656239-38-2
• Category: Boronic Esters
• IUPAC Name: morpholin-4-yl-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methanone
• Molecular Weight: 317.2g/mol
• Molecular Formula: C17H24BNO4
• Canonical SMILES: B1(OC(C(O1)(C)C)(C)C)C2=CC=C(C=C2)C(=O)N3CCOCC3
• InChI: InChI=1S/C17H24BNO4/c1-16(2)17(3,4)23-18(22-16)14-7-5-13(6-8-14)15(20)19-9-11-21-12-10-19/h5-8H,9-12H2,1-4H3
• InChI Key: ZOPBEWUNCNLYSD-UHFFFAOYSA-N
• Complexity: 424
• Covalently-Bonded Unit Count: 1
• Exact Mass: 317.179838g/mol
• Formal Charge: 0
• H-Bond Acceptor: 4
• H-Bond Donor: 0
• Heavy Atom Count: 23
• Monoisotopic Mass: 317.179838g/mol
• Rotatable Bond Count: 2