2-[4-chloro-2-fluoro-5-(2-methoxyethoxy)phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane

• ChemBase ID: 291461
• Molecular Formular: C15H21BClFO4
• Molecular Mass: 330.5872432
• Monoisotopic Mass: 330.12054545
• SMILES: CC1(C)C(C)(C)OB(c2cc(OCCOC)c(Cl)cc2F)O1
• Canonical SMILES: COCCOc1cc(B2OC(C(O2)(C)C)(C)C)c(cc1Cl)F
• InChI: InChI=1S/C15H21BClFO4/c1-14(2)15(3,4)22-16(21-14)10-8-13(20-7-6-19-5)11(17)9-12(10)18/h8-9H,6-7H2,1-5H3
• InChIKey: HVLITDMFBWNGJO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-[4-chloro-2-fluoro-5-(2-methoxyethoxy)phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
• IUPAC Traditional name: 2-[4-chloro-2-fluoro-5-(2-methoxyethoxy)phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
• Synonyms: 2-(4-Chloro-2-fluoro-5-(2-methoxyethoxy)phenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane

Database IDs

• CAS Number: 1256360-21-0
• MDL Number: MFCD16295126
• PubChem SID: 180676992
• PubChem CID: 53217242

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 4.1404
• LogD (pH = 7.4): 4.1404
• Log P: 4.1404
• Molar Refractivity: 78.241 cm^3
• Polarizability: 32.52247 Å^3
• Polar Surface Area: 36.92 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%