4-Tolylboronic acid MIDA ester

• CAS: 943552-01-0
• Catalog Number: ACM943552010
• Category: Other Products
• Molecular Weight: 247.06g/mol
• Molecular Formula: C12H14BNO4
• IUPAC Name: 6-methyl-2-(4-methylphenyl)-1,3,6,2-dioxazaborocane-4,8-dione
• Canonical SMILES: B1(OC(=O)CN(CC(=O)O1)C)C2=CC=C(C=C2)C
• InChI: InChI=1S/C12H14BNO4/c1-9-3-5-10(6-4-9)13-17-11(15)7-14(2)8-12(16)18-13/h3-6H,7-8H2,1-2H3
• InChI Key: XXJWDGQXUAQEKD-UHFFFAOYSA-N
• Complexity: 308
• Covalently-Bonded Unit Count: 1
• Exact Mass: 247.101588g/mol
• Formal Charge: 0
• H-Bond Acceptor: 5
• H-Bond Donor: 0
• Heavy Atom Count: 18
• Monoisotopic Mass: 247.101588g/mol
• Rotatable Bond Count: 1