(2-fluoro-4-iodophenyl)boronic acid

• ChemBase ID: 813626
• Molecular Formular: C6H5BFIO2
• Molecular Mass: 265.8165732
• Monoisotopic Mass: 265.94113602
• SMILES: B(O)(O)c1c(cc(cc1)I)F
• Canonical SMILES: Ic1ccc(c(c1)F)B(O)O
• InChI: InChI=1S/C6H5BFIO2/c8-6-3-4(9)1-2-5(6)7(10)11/h1-3,10-11H
• InChIKey: WLIKCRRAILNHLS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (2-fluoro-4-iodophenyl)boronic acid
• IUPAC Traditional name: 2-fluoro-4-iodophenylboronic acid
• Synonyms: 2-FLUORO-4-IODOPHENYLBORONIC ACID

Database IDs

• CAS Number: 374790-98-4

CALCULATED PROPERTIES

• Acid pKa: 8.169266
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): 2.768976
• LogD (pH = 7.4): 2.7019973
• Log P: 2.7699
• Molar Refractivity: 44.1824 cm^3
• Polarizability: 18.62988 Å^3
• Polar Surface Area: 40.46 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%