bromo(4-fluoronaphthalen-1-yl)magnesium

• ChemBase ID: 94969
• Molecular Formular: C10H6BrFMg
• Molecular Mass: 249.3620432
• Monoisotopic Mass: 247.94873211
• SMILES: Fc1ccc(c2c1cccc2)[Mg]Br
• Canonical SMILES: Br[Mg]c1ccc(c2c1cccc2)F
• InChI: InChI=1S/C10H6F.BrH.Mg/c11-10-7-3-5-8-4-1-2-6-9(8)10;;/h1-4,6-7H;1H;/q;;+1/p-1
• InChIKey: HAFKDFYJKIZMCD-UHFFFAOYSA-M

NAMES AND DATABASE IDS

Names

• IUPAC name: bromo(4-fluoronaphthalen-1-yl)magnesium
• IUPAC Traditional name: bromo(4-fluoronaphthalen-1-yl)magnesium
• Synonyms: 4-Fluoro-1-naphthylmagnesium bromide

Database IDs

• MDL Number: MFCD01311485
• PubChem SID: 162081621
• PubChem CID: 2778237

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 2.929
• LogD (pH = 7.4): 2.929
• Log P: 2.929
• Molar Refractivity: 50.8761 cm^3
• Polarizability: 22.068506 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: Flammable