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

• ChemBase ID: 291515
• Molecular Formular: C13H18BClO3
• Molecular Mass: 268.54422
• Monoisotopic Mass: 268.10375252
• SMILES: CC1(C)C(C)(C)OB(c2cc(OC)cc(Cl)c2)O1
• Canonical SMILES: COc1cc(Cl)cc(c1)B1OC(C(O1)(C)C)(C)C
• InChI: InChI=1S/C13H18BClO3/c1-12(2)13(3,4)18-14(17-12)9-6-10(15)8-11(7-9)16-5/h6-8H,1-5H3
• InChIKey: GEONBEFVLDNCSM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• CAS Number: 929626-16-4
• MDL Number: MFCD12405332
• PubChem SID: 180677046
• PubChem CID: 46739618

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 4.1657
• LogD (pH = 7.4): 4.1657
• Log P: 4.1657
• Molar Refractivity: 66.9811 cm^3
• Polarizability: 28.389267 Å^3
• Polar Surface Area: 27.69 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%