bromo(4-chloro-3-fluorophenyl)zinc

• ChemBase ID: 94707
• Molecular Formular: C6H3BrClFZn
• Molecular Mass: 274.8234232
• Monoisotopic Mass: 271.83821
• SMILES: [Zn](c1cc(c(cc1)Cl)F)Br
• Canonical SMILES: Br[Zn]c1ccc(c(c1)F)Cl
• InChI: InChI=1S/C6H3ClF.BrH.Zn/c7-5-3-1-2-4-6(5)8;;/h1,3-4H;1H;/q;;+1/p-1
• InChIKey: RGHNJNSJYJVXIX-UHFFFAOYSA-M

NAMES AND DATABASE IDS

Names

• IUPAC name: bromo(4-chloro-3-fluorophenyl)zinc
• IUPAC Traditional name: bromo(4-chloro-3-fluorophenyl)zinc
• Synonyms: 4-Chloro-3-fluorophenylzinc bromide

Database IDs

• MDL Number: MFCD03094148
• PubChem SID: 162081361
• PubChem CID: 2778212

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 2.8498
• LogD (pH = 7.4): 2.8498
• Log P: 2.8498
• Molar Refractivity: 39.2307 cm^3
• Polarizability: 18.407213 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: Flammable