1-(Ethoxycarbonylmethyl)-1H-pyrazole-4-boronic acid, pinacol ester

• Catalog Number: ACM864754165-1
• Product Name: 1-(Ethoxycarbonylmethyl)-1H-pyrazole-4-boronic acid, pinacol ester
• CAS: 864754-16-5
• Category: Boronic Esters
• IUPAC Name: ethyl 2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazol-1-yl]acetate
• Molecular Weight: 280.13g/mol
• Molecular Formula: C13H21BN2O4
• Canonical SMILES: B1(OC(C(O1)(C)C)(C)C)C2=CN(N=C2)CC(=O)OCC
• InChI: InChI=1S/C13H21BN2O4/c1-6-18-11(17)9-16-8-10(7-15-16)14-19-12(2,3)13(4,5)20-14/h7-8H,6,9H2,1-5H3
• InChI Key: YUEZJHOSHBTWPV-UHFFFAOYSA-N
• Complexity: 359
• Covalently-Bonded Unit Count: 1
• Exact Mass: 280.159437g/mol
• Formal Charge: 0
• H-Bond Acceptor: 5
• H-Bond Donor: 0
• Heavy Atom Count: 20
• Monoisotopic Mass: 280.159437g/mol
• Rotatable Bond Count: 5