(2-chloro-4-fluorophenyl)(iodo)zinc

• ChemBase ID: 99767
• Molecular Formular: C6H3ClFIZn
• Molecular Mass: 321.8238932
• Monoisotopic Mass: 319.824346
• SMILES: [Zn](c1c(cc(cc1)F)Cl)I
• Canonical SMILES: I[Zn]c1ccc(cc1Cl)F
• InChI: InChI=1S/C6H3ClF.HI.Zn/c7-5-2-1-3-6(8)4-5;;/h1,3-4H;1H;/q;;+1/p-1
• InChIKey: FKKUQTVCSXSWNT-UHFFFAOYSA-M

NAMES AND DATABASE IDS

Names

• IUPAC name: (2-chloro-4-fluorophenyl)(iodo)zinc
• IUPAC Traditional name: (2-chloro-4-fluorophenyl)(iodo)zinc
• Synonyms: 2-Chloro-4-fluorophenylzinc iodide 0.5M solution in THF

Database IDs

• CAS Number: 497923-83-8
• MDL Number: MFCD02260160
• PubChem SID: 162086016
• PubChem CID: 2778723

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 2.8483
• LogD (pH = 7.4): 2.8483
• Log P: 2.8483
• Molar Refractivity: 43.8363 cm^3
• Polarizability: 20.69965 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: Flammable