(iodomethyl)benzene

• ChemBase ID: 241843
• Molecular Formular: C7H7I
• Molecular Mass: 218.03495
• Monoisotopic Mass: 217.95924822
• SMILES: ICc1ccccc1
• Canonical SMILES: ICc1ccccc1
• InChI: InChI=1S/C7H7I/c8-6-7-4-2-1-3-5-7/h1-5H,6H2
• InChIKey: XJTQJERLRPWUGL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (iodomethyl)benzene
• IUPAC Traditional name: benzyl iodide
• Synonyms: (iodomethyl)benzene

Database IDs

• CAS Number: 620-05-3
• MDL Number: MFCD00013717
• PubChem SID: 164297753
• PubChem CID: 12098

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 3.176261
• LogD (pH = 7.4): 3.176261
• Log P: 3.176261
• Molar Refractivity: 44.1571 cm^3
• Polarizability: 17.099665 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 3.234

Product Information

• Purity: 95%; 95+%