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

• ChemBase ID: 242731
• Molecular Formular: C9H11BrO2
• Molecular Mass: 231.08644
• Monoisotopic Mass: 229.99424159
• SMILES: c1(c(OCCOC)cccc1)Br
• Canonical SMILES: COCCOc1ccccc1Br
• InChI: InChI=1S/C9H11BrO2/c1-11-6-7-12-9-5-3-2-4-8(9)10/h2-5H,6-7H2,1H3
• InChIKey: YQNVKSQBACJWHD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• MDL Number: MFCD09934824
• PubChem SID: 164298641
• PubChem CID: 13720968

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: 20.047125 Å^3
• Polar Surface Area: 18.46 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 2.724

Product Information

• Purity: 95%