tert-butyl(2-chloro-4-fluoro-5-(tetramethyl-1,3,2-dioxaborolan-2-yl)phenoxy)dimethylsilane

• ChemBase ID: 291463
• Molecular Formular: C18H29BClFO3Si
• Molecular Mass: 386.7689632
• Monoisotopic Mass: 386.16515762
• SMILES: C[Si](Oc1cc(B2OC(C)(C)C(C)(C)O2)c(F)cc1Cl)(C(C)(C)C)C
• Canonical SMILES: Fc1cc(Cl)c(cc1B1OC(C(O1)(C)C)(C)C)O[Si](C(C)(C)C)(C)C
• InChI: InChI=1S/C18H29BClFO3Si/c1-16(2,3)25(8,9)22-15-10-12(14(21)11-13(15)20)19-23-17(4,5)18(6,7)24-19/h10-11H,1-9H3
• InChIKey: CWQFSWRDPKBURT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: tert-butyl(2-chloro-4-fluoro-5-(tetramethyl-1,3,2-dioxaborolan-2-yl)phenoxy)dimethylsilane
• IUPAC Traditional name: tert-butyl(2-chloro-4-fluoro-5-(tetramethyl-1,3,2-dioxaborolan-2-yl)phenoxy)dimethylsilane
• Synonyms: tert-Butyl(2-chloro-4-fluoro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenoxy)dimethylsilane

Database IDs

• CAS Number: 1150561-59-3
• MDL Number: MFCD12026093
• PubChem SID: 180676994
• PubChem CID: 46739457

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 6.4912
• LogD (pH = 7.4): 6.4912
• Log P: 6.4912
• Molar Refractivity: 92.5633 cm^3
• Polarizability: 40.23533 Å^3
• Polar Surface Area: 27.69 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: false

PROPERTIES

Product Information

• Purity: 95+%