2-[2-(2-chloroethoxy)phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane

• ChemBase ID: 291456
• Molecular Formular: C14H20BClO3
• Molecular Mass: 282.5708
• Monoisotopic Mass: 282.11940258
• SMILES: CC1(C)C(C)(C)OB(c2ccccc2OCCCl)O1
• Canonical SMILES: ClCCOc1ccccc1B1OC(C(O1)(C)C)(C)C
• InChI: InChI=1S/C14H20BClO3/c1-13(2)14(3,4)19-15(18-13)11-7-5-6-8-12(11)17-10-9-16/h5-8H,9-10H2,1-4H3
• InChIKey: FDKCFTPLRZJLHH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-[2-(2-chloroethoxy)phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
• IUPAC Traditional name: 2-[2-(2-chloroethoxy)phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
• Synonyms: 2-(2-(2-Chloroethoxy)phenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane

Database IDs

• CAS Number: 1256359-02-0
• MDL Number: MFCD09746200
• PubChem SID: 180676987
• PubChem CID: 53216795

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 4.3513
• LogD (pH = 7.4): 4.3513
• Log P: 4.3513
• Molar Refractivity: 71.5196 cm^3
• Polarizability: 30.17937 Å^3
• Polar Surface Area: 27.69 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%