3-Nitrophenylboronic acid pinacol ester

• Catalog Number: ACM68716483
• Product Name: 3-Nitrophenylboronic acid pinacol ester
• CAS: 68716-48-3
• Category: Boronic Esters
• IUPAC Name: 4,4,5,5-tetramethyl-2-(3-nitrophenyl)-1,3,2-dioxaborolane
• Molecular Weight: 249.07g/mol
• Molecular Formula: C12H16BNO4
• Canonical SMILES: B1(OC(C(O1)(C)C)(C)C)C2=CC(=CC=C2)[N+](=O)[O-]
• InChI: InChI=1S/C12H16BNO4/c1-11(2)12(3,4)18-13(17-11)9-6-5-7-10(8-9)14(15)16/h5-8H,1-4H3
• InChI Key: JWEAFTZTLIGAQU-UHFFFAOYSA-N
• Complexity: 324
• Covalently-Bonded Unit Count: 1
• Exact Mass: 249.117238g/mol
• Formal Charge: 0
• H-Bond Acceptor: 4
• H-Bond Donor: 0
• Heavy Atom Count: 18
• Monoisotopic Mass: 249.117238g/mol
• Rotatable Bond Count: 1