{[(1,3-dibromopropan-2-yl)oxy]methyl}benzene

• ChemBase ID: 799041
• Molecular Formular: C10H12Br2O
• Molecular Mass: 308.00968
• Monoisotopic Mass: 305.925489
• SMILES: c1(ccccc1)COC(CBr)CBr
• Canonical SMILES: BrCC(OCc1ccccc1)CBr
• InChI: InChI=1S/C10H12Br2O/c11-6-10(7-12)13-8-9-4-2-1-3-5-9/h1-5,10H,6-8H2
• InChIKey: HVELAOQZAFXLRD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: {[(1,3-dibromopropan-2-yl)oxy]methyl}benzene
• IUPAC Traditional name: {[(1,3-dibromopropan-2-yl)oxy]methyl}benzene
• Synonyms: ((1,3-dibromopropan-2-yloxy)methyl)benzene

Database IDs

• CAS Number: 35995-55-2

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 3.6087599
• LogD (pH = 7.4): 3.6087599
• Log P: 3.6087599
• Molar Refractivity: 61.9489 cm^3
• Polarizability: 23.92959 Å^3
• Polar Surface Area: 9.23 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%