1-bromo-4-(2-methoxyethyl)benzene

• ChemBase ID: 257880
• Molecular Formular: C9H11BrO
• Molecular Mass: 215.08704
• Monoisotopic Mass: 213.99932697
• SMILES: c1(Br)ccc(cc1)CCOC
• Canonical SMILES: COCCc1ccc(cc1)Br
• InChI: InChI=1S/C9H11BrO/c1-11-7-6-8-2-4-9(10)5-3-8/h2-5H,6-7H2,1H3
• InChIKey: IVWZNFTXJKWJMJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-bromo-4-(2-methoxyethyl)benzene
• IUPAC Traditional name: 1-bromo-4-(2-methoxyethyl)benzene
• Synonyms: 1-bromo-4-(2-methoxyethyl)benzene

Database IDs

• MDL Number: MFCD09928842
• PubChem SID: 164313790
• PubChem CID: 21995717

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 2.9064364
• LogD (pH = 7.4): 2.9064364
• Log P: 2.9064364
• Molar Refractivity: 50.0029 cm^3
• Polarizability: 19.224203 Å^3
• Polar Surface Area: 9.23 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 2.772

Product Information

• Purity: 95%