4-fluoro-2-iodophenol

• ChemBase ID: 93837
• Molecular Formular: C6H4FIO
• Molecular Mass: 237.9982332
• Monoisotopic Mass: 237.92909097
• SMILES: Oc1c(cc(cc1)F)I
• Canonical SMILES: Fc1ccc(c(c1)I)O
• InChI: InChI=1S/C6H4FIO/c7-4-1-2-6(9)5(8)3-4/h1-3,9H
• InChIKey: FTTVHYAABUMDNX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-fluoro-2-iodophenol
• IUPAC Traditional name: 4-fluoro-2-iodophenol
• Synonyms: 4-Fluoro-1-hydroxy-2-iodobenzene; 4-Fluoro-2-iodophenol

Database IDs

• CAS Number: 2713-29-3
• MDL Number: MFCD15527539
• PubChem SID: 162104918
• PubChem CID: 10171417

CALCULATED PROPERTIES

• Acid pKa: 8.108153
• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 2.7402647
• LogD (pH = 7.4): 2.664223
• Log P: 2.7413268
• Molar Refractivity: 41.6178 cm^3
• Polarizability: 16.06011 Å^3
• Polar Surface Area: 20.23 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: Irritant/Light Sensitive/Keep Cold

Product Information

• Purity: 95+%