2-fluoro-5-iodophenol

• ChemBase ID: 287666
• Molecular Formular: C6H4FIO
• Molecular Mass: 237.9982332
• Monoisotopic Mass: 237.92909097
• SMILES: Oc1cc(I)ccc1F
• Canonical SMILES: Ic1ccc(c(c1)O)F
• InChI: InChI=1S/C6H4FIO/c7-5-2-1-4(8)3-6(5)9/h1-3,9H
• InChIKey: JDGBFLDXIZQLLT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• CAS Number: 186589-89-9
• PubChem SID: 180673197
• PubChem CID: 46911832

CALCULATED PROPERTIES

• Acid pKa: 7.803961
• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 2.7391922
• LogD (pH = 7.4): 2.5982575
• Log P: 2.7413268
• Molar Refractivity: 41.6178 cm^3
• Polarizability: 16.050566 Å^3
• Polar Surface Area: 20.23 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%