(4-fluoro-3-methylphenyl)(iodo)zinc

• ChemBase ID: 100561
• Molecular Formular: C7H6FIZn
• Molecular Mass: 301.4054132
• Monoisotopic Mass: 299.87896841
• SMILES: [Zn](c1cc(c(cc1)F)C)I
• Canonical SMILES: I[Zn]c1ccc(c(c1)C)F
• InChI: InChI=1S/C7H6F.HI.Zn/c1-6-4-2-3-5-7(6)8;;/h3-5H,1H3;1H;/q;;+1/p-1
• InChIKey: HVOSPPUDYIJJQW-UHFFFAOYSA-M

NAMES AND DATABASE IDS

Names

• IUPAC name: (4-fluoro-3-methylphenyl)(iodo)zinc
• IUPAC Traditional name: (4-fluoro-3-methylphenyl)(iodo)zinc
• Synonyms: 4-Fluoro-3-methylphenylzinc iodide

Database IDs

• MDL Number: MFCD01319871
• PubChem SID: 162086554
• PubChem CID: 2778833

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 2.7975
• LogD (pH = 7.4): 2.7975
• Log P: 2.7975
• Molar Refractivity: 44.0727 cm^3
• Polarizability: 20.384874 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: Flammable