[2-(2-bromoethoxy)ethoxy]benzene

• ChemBase ID: 259317
• Molecular Formular: C10H13BrO2
• Molecular Mass: 245.11302
• Monoisotopic Mass: 244.00989166
• SMILES: BrCCOCCOc1ccccc1
• Canonical SMILES: BrCCOCCOc1ccccc1
• InChI: InChI=1S/C10H13BrO2/c11-6-7-12-8-9-13-10-4-2-1-3-5-10/h1-5H,6-9H2
• InChIKey: FETWVQRXLBDILP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [2-(2-bromoethoxy)ethoxy]benzene
• IUPAC Traditional name: [2-(2-bromoethoxy)ethoxy]benzene
• Synonyms: [2-(2-bromoethoxy)ethoxy]benzene

Database IDs

• MDL Number: MFCD01308529
• PubChem SID: 164315227
• PubChem CID: 2245425

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 2.6185842
• LogD (pH = 7.4): 2.6185842
• Log P: 2.6185842
• Molar Refractivity: 55.8915 cm^3
• Polarizability: 21.764875 Å^3
• Polar Surface Area: 18.46 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 2.543

Product Information

• Purity: 95%