iodosylbenzene

• ChemBase ID: 127841
• Molecular Formular: C6H5IO
• Molecular Mass: 220.00777
• Monoisotopic Mass: 219.93851278
• SMILES: c1ccc(cc1)[I]=O
• Canonical SMILES: O=[I]c1ccccc1
• InChI: InChI=1S/C6H5IO/c8-7-6-4-2-1-3-5-6/h1-5H
• InChIKey: JYJVVHFRSFVEJM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: iodosylbenzene
• IUPAC Traditional name: iodosobenzene
• Synonyms: iodosylbenzene; Iodosobenzene; Iodosobenzene

Database IDs

• CAS Number: 536-80-1
• MDL Number: MFCD00039507
• PubChem SID: 162222159
• PubChem CID: 92125
• Chemspider ID: 83171
• Wikipedia Title: Iodosobenzene

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 2.2017045
• LogD (pH = 7.4): 2.2017045
• Log P: 2.2017045
• Molar Refractivity: 40.258 cm^3
• Polarizability: 16.905071 Å^3
• Polar Surface Area: 17.07 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Solubility: poor in water
• Apperance: colourless solid
• Melting Point: 199 - 201°C; 210 ?C
• Density: 1.229 g cm^-3
• Hydrophobicity(logP): 0.995

Product Information

• Purity: 95%