(2-iodoethoxy)benzene

• ChemBase ID: 310561
• Molecular Formular: C8H9IO
• Molecular Mass: 248.06093
• Monoisotopic Mass: 247.96981291
• SMILES: ICCOc1ccccc1
• Canonical SMILES: ICCOc1ccccc1
• InChI: InChI=1S/C8H9IO/c9-6-7-10-8-4-2-1-3-5-8/h1-5H,6-7H2
• InChIKey: HITDQIDBXIGRBU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (2-iodoethoxy)benzene
• IUPAC Traditional name: (2-iodoethoxy)benzene
• Synonyms: (2-iodoethoxy)benzene

Database IDs

• CAS Number: 37137-00-1
• MDL Number: MFCD00464689

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 2.93993
• LogD (pH = 7.4): 2.93993
• Log P: 2.93993
• Molar Refractivity: 50.2507 cm^3
• Polarizability: 19.664412 Å^3
• Polar Surface Area: 9.23 Å^2