5-Amino-2-methylphenylboronic acid, pinacol ester

• Catalog Number: ACM882670691
• Product Name: 5-Amino-2-methylphenylboronic acid, pinacol ester
• CAS: 882670-69-1
• Category: Boronic Esters
• IUPAC Name: 4-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)aniline
• Molecular Weight: 233.12g/mol
• Molecular Formula: C13H20BNO2
• Canonical SMILES: B1(OC(C(O1)(C)C)(C)C)C2=C(C=CC(=C2)N)C
• InChI: InChI=1S/C13H20BNO2/c1-9-6-7-10(15)8-11(9)14-16-12(2,3)13(4,5)17-14/h6-8H,15H2,1-5H3
• InChI Key: HPNBWHDRLCVZFV-UHFFFAOYSA-N
• Complexity: 277
• Covalently-Bonded Unit Count: 1
• Exact Mass: 233.158709g/mol
• Formal Charge: 0
• H-Bond Acceptor: 3
• H-Bond Donor: 1
• Heavy Atom Count: 17
• Monoisotopic Mass: 233.158709g/mol
• Rotatable Bond Count: 1