1-bromo-3-(2-methoxyethoxy)benzene

• ChemBase ID: 260777
• Molecular Formular: C9H11BrO2
• Molecular Mass: 231.08644
• Monoisotopic Mass: 229.99424159
• SMILES: c1c(Br)cccc1OCCOC
• Canonical SMILES: COCCOc1cccc(c1)Br
• InChI: InChI=1S/C9H11BrO2/c1-11-5-6-12-9-4-2-3-8(10)7-9/h2-4,7H,5-6H2,1H3
• InChIKey: CFUFZUWSBHTKRQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-bromo-3-(2-methoxyethoxy)benzene
• IUPAC Traditional name: 1-bromo-3-(2-methoxyethoxy)benzene
• Synonyms: 1-bromo-3-(2-methoxyethoxy)benzene

Database IDs

• MDL Number: MFCD09928066
• PubChem SID: 164316687
• PubChem CID: 18379608

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 2.5373516
• LogD (pH = 7.4): 2.5373516
• Log P: 2.5373516
• Molar Refractivity: 51.1875 cm^3
• Polarizability: 20.040224 Å^3
• Polar Surface Area: 18.46 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 2.814

Product Information

• Purity: 95%