2-fluoro-6-iodophenol

• ChemBase ID: 294277
• Molecular Formular: C6H4FIO
• Molecular Mass: 237.9982332
• Monoisotopic Mass: 237.92909097
• SMILES: Oc1c(I)cccc1F
• Canonical SMILES: Oc1c(F)cccc1I
• InChI: InChI=1S/C6H4FIO/c7-4-2-1-3-5(8)6(4)9/h1-3,9H
• InChIKey: ZFARONFWYBCKDO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-fluoro-6-iodophenol
• IUPAC Traditional name: 2-fluoro-6-iodophenol
• Synonyms: 2-Fluoro-6-iodophenol

Database IDs

• CAS Number: 28177-50-6
• MDL Number: MFCD07782067
• PubChem SID: 180679808
• PubChem CID: 22237496

CALCULATED PROPERTIES

• Acid pKa: 7.3853626
• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 2.7357562
• LogD (pH = 7.4): 2.436684
• Log P: 2.7413268
• Molar Refractivity: 41.6178 cm^3
• Polarizability: 16.060566 Å^3
• Polar Surface Area: 20.23 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%