2-[2-(tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]acetamide

• ChemBase ID: 290903
• Molecular Formular: C14H20BNO3
• Molecular Mass: 261.1245
• Monoisotopic Mass: 261.15362391
• SMILES: O=C(N)Cc1ccccc1B1OC(C)(C)C(C)(C)O1
• Canonical SMILES: NC(=O)Cc1ccccc1B1OC(C(O1)(C)C)(C)C
• InChI: InChI=1S/C14H20BNO3/c1-13(2)14(3,4)19-15(18-13)11-8-6-5-7-10(11)9-12(16)17/h5-8H,9H2,1-4H3,(H2,16,17)
• InChIKey: CPFGCHYGAVWSDA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-[2-(tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]acetamide
• IUPAC Traditional name: 2-[2-(tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]acetamide
• Synonyms: 2-(2-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)acetamide

Database IDs

• CAS Number: 1218789-98-0
• PubChem SID: 180676434
• PubChem CID: 46739829

CALCULATED PROPERTIES

• Molar Refractivity: 68.8429 cm^3
• Polarizability: 28.88592 Å^3
• Polar Surface Area: 61.55 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true
• Acid pKa: 15.982909
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 2.6665
• LogD (pH = 7.4): 2.6665
• Log P: 2.6665

PROPERTIES

Product Information

• Purity: 95+%