bromo(3-fluoro-4-phenylphenyl)magnesium

• ChemBase ID: 94458
• Molecular Formular: C12H8BrFMg
• Molecular Mass: 275.3993232
• Monoisotopic Mass: 273.96438218
• SMILES: Fc1c(ccc(c1)[Mg]Br)c1ccccc1
• Canonical SMILES: Br[Mg]c1ccc(c(c1)F)c1ccccc1
• InChI: InChI=1S/C12H8F.BrH.Mg/c13-12-9-5-4-8-11(12)10-6-2-1-3-7-10;;/h1-4,6-9H;1H;/q;;+1/p-1
• InChIKey: NQSUQAQPOPPGIN-UHFFFAOYSA-M

NAMES AND DATABASE IDS

Names

• IUPAC name: bromo(3-fluoro-4-phenylphenyl)magnesium
• IUPAC Traditional name: bromo(3-fluoro-4-phenylphenyl)magnesium
• Synonyms: 2-Fluoro-[1,1-biphenyl]-4-magnesiumbromide 0.5M solution in THF

Database IDs

• MDL Number: MFCD07698745
• PubChem SID: 162081112
• PubChem CID: 2778183

CALCULATED PROPERTIES

• Polarizability: 25.475494 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true
• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 3.6112
• LogD (pH = 7.4): 3.6112
• Log P: 3.6112
• Molar Refractivity: 59.5621 cm^3

PROPERTIES

Safety Information

• Storage Warning: Flammable