2-(5-chloro-2-cyclopropylphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane

• ChemBase ID: 241928
• Molecular Formular: C15H20BClO2
• Molecular Mass: 278.5821
• Monoisotopic Mass: 278.12448796
• SMILES: B1(OC(C(O1)(C)C)(C)C)c1c(C2CC2)ccc(c1)Cl
• Canonical SMILES: CC1(C)OB(OC1(C)C)c1cc(Cl)ccc1C1CC1
• InChI: InChI=1S/C15H20BClO2/c1-14(2)15(3,4)19-16(18-14)13-9-11(17)7-8-12(13)10-5-6-10/h7-10H,5-6H2,1-4H3
• InChIKey: MMIBKEZCCKOPLS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(5-chloro-2-cyclopropylphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
• IUPAC Traditional name: 2-(5-chloro-2-cyclopropylphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
• Synonyms: 2-(5-chloro-2-cyclopropylphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane

Database IDs

• MDL Number: MFCD18730629
• PubChem SID: 164297838
• PubChem CID: 60150199

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 5.1084
• LogD (pH = 7.4): 5.1084
• Log P: 5.1084
• Molar Refractivity: 72.9065 cm^3
• Polarizability: 30.574802 Å^3
• Polar Surface Area: 18.46 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: false

PROPERTIES

Physical Property

• Hydrophobicity(logP): 5.326

Product Information

• Purity: 95%