3-bromo-4-methylphenoxy(tert-butyl)dimethylsilane

• ChemBase ID: 293142
• Molecular Formular: C13H21BrOSi
• Molecular Mass: 301.29474
• Monoisotopic Mass: 300.05450382
• SMILES: C[Si](C(C)(C)C)(Oc1ccc(C)c(Br)c1)C
• Canonical SMILES: Cc1ccc(cc1Br)O[Si](C(C)(C)C)(C)C
• InChI: InChI=1S/C13H21BrOSi/c1-10-7-8-11(9-12(10)14)15-16(5,6)13(2,3)4/h7-9H,1-6H3
• InChIKey: ADPIXAMOGQEKLF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-bromo-4-methylphenoxy(tert-butyl)dimethylsilane; (3-bromo-4-methylphenoxy)(tert-butyl)dimethylsilane
• IUPAC Traditional name: 3-bromo-4-methylphenoxy(tert-butyl)dimethylsilane
• Synonyms: (3-Bromo-4-methylphenoxy)(tert-butyl)dimethylsilane

Database IDs

• CAS Number: 164513-48-8
• PubChem SID: 180678673
• PubChem CID: 19437122

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 5.2389
• LogD (pH = 7.4): 5.2389
• Log P: 5.2389
• Molar Refractivity: 70.551 cm^3
• Polarizability: 29.459887 Å^3
• Polar Surface Area: 9.23 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: false

PROPERTIES

Product Information

• Purity: 95+%; 97%