2-[6-(benzyloxy)-2,3-difluorophenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane

• ChemBase ID: 64357
• Molecular Formular: C19H21BF2O3
• Molecular Mass: 346.1760464
• Monoisotopic Mass: 346.15518137
• SMILES: B1(c2c(c(ccc2OCc2ccccc2)F)F)OC(C(O1)(C)C)(C)C
• Canonical SMILES: Fc1ccc(c(c1F)B1OC(C(O1)(C)C)(C)C)OCc1ccccc1
• InChI: InChI=1S/C19H21BF2O3/c1-18(2)19(3,4)25-20(24-18)16-15(11-10-14(21)17(16)22)23-12-13-8-6-5-7-9-13/h5-11H,12H2,1-4H3
• InChIKey: NAHWIASKEBANNQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-[6-(benzyloxy)-2,3-difluorophenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
• IUPAC Traditional name: 2-[6-(benzyloxy)-2,3-difluorophenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
• Synonyms: 2,3-Difluoro-6-(benzyloxy)phenylboronic acid pinacol ester

Database IDs

• CAS Number: 1204580-70-0
• MDL Number: MFCD11109351
• PubChem SID: 162030096
• PubChem CID: 44118222

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 5.7033
• LogD (pH = 7.4): 5.7033
• Log P: 5.7033
• Molar Refractivity: 87.2217 cm^3
• Polarizability: 35.437843 Å^3
• Polar Surface Area: 27.69 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: false

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: 98%