2-[4-(benzyloxy)-2-fluorophenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane

• ChemBase ID: 300946
• Molecular Formular: C19H22BFO3
• Molecular Mass: 328.1855832
• Monoisotopic Mass: 328.16460318
• SMILES: CC1(C)OB(OC1(C)C)c1c(cc(cc1)OCc1ccccc1)F
• Canonical SMILES: Fc1cc(ccc1B1OC(C(O1)(C)C)(C)C)OCc1ccccc1
• InChI: InChI=1S/C19H22BFO3/c1-18(2)19(3,4)24-20(23-18)16-11-10-15(12-17(16)21)22-13-14-8-6-5-7-9-14/h5-12H,13H2,1-4H3
• InChIKey: GZZQURYDPPCTSI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-[4-(benzyloxy)-2-fluorophenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
• IUPAC Traditional name: 2-[4-(benzyloxy)-2-fluorophenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
• Synonyms: 4-Benzyloxy-2-fluorophenylboronic acid pinacol ester; 4-Benzyloxy-2-fluorobenzeneboronic acid pinacol ester

Database IDs

• MDL Number: MFCD22419262

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 5.5638
• LogD (pH = 7.4): 5.5638
• Log P: 5.5638
• Molar Refractivity: 87.0053 cm^3
• Polarizability: 35.756416 Å^3
• Polar Surface Area: 27.69 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: false

PROPERTIES

Physical Property

• Melting Point: 49-51°C

Safety Information

• TSCA Listed: 否

Product Information

• Purity: 96%