5-fluoro-2-iodophenol

• ChemBase ID: 797991
• Molecular Formular: C6H4FIO
• Molecular Mass: 237.9982332
• Monoisotopic Mass: 237.92909097
• SMILES: c1(c(ccc(c1)F)I)O
• Canonical SMILES: Fc1ccc(c(c1)O)I
• InChI: InChI=1S/C6H4FIO/c7-4-1-2-5(8)6(9)3-4/h1-3,9H
• InChIKey: DZXUERYVERNFQU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-fluoro-2-iodophenol
• IUPAC Traditional name: 5-fluoro-2-iodophenol
• Synonyms: 5-Fluoro-2-iodo-phenol

Database IDs

• CAS Number: 186589-87-7

CALCULATED PROPERTIES

• Acid pKa: 7.44818
• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 2.736497
• LogD (pH = 7.4): 2.4665592
• Log P: 2.7413268
• Molar Refractivity: 41.6178 cm^3
• Polarizability: 16.059942 Å^3
• Polar Surface Area: 20.23 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%