2-(2,5-dibromophenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane

• ChemBase ID: 294756
• Molecular Formular: C12H15BBr2O2
• Molecular Mass: 361.8653
• Monoisotopic Mass: 359.95318412
• SMILES: CC1(C)OB(OC1(C)C)c1c(Br)ccc(Br)c1
• Canonical SMILES: CC1(C)OB(OC1(C)C)c1cc(Br)ccc1Br
• InChI: InChI=1S/C12H15BBr2O2/c1-11(2)12(3,4)17-13(16-11)9-7-8(14)5-6-10(9)15/h5-7H,1-4H3
• InChIKey: YAZONGAJMOABEV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• CAS Number: 1256781-64-2
• MDL Number: MFCD17215817
• PubChem SID: 180680287
• PubChem CID: 70700652

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 5.484
• LogD (pH = 7.4): 5.484
• Log P: 5.484
• Molar Refractivity: 70.9587 cm^3
• Polarizability: 29.669764 Å^3
• Polar Surface Area: 18.46 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: false

PROPERTIES

Product Information

• Purity: 95+%