2,3-difluoro-4-iodophenol

• ChemBase ID: 95113
• Molecular Formular: C6H3F2IO
• Molecular Mass: 255.9886964
• Monoisotopic Mass: 255.91966916
• SMILES: Oc1c(c(c(cc1)I)F)F
• Canonical SMILES: Oc1ccc(c(c1F)F)I
• InChI: InChI=1S/C6H3F2IO/c7-5-3(9)1-2-4(10)6(5)8/h1-2,10H
• InChIKey: IXJVMKIJWFFXCR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2,3-difluoro-4-iodophenol
• IUPAC Traditional name: 2,3-difluoro-4-iodophenol
• Synonyms: 2,3-Difluoro-4-iodophenol 98%; 2,3-Difluoro-4-iodophenol

Database IDs

• CAS Number: 144292-40-0
• MDL Number: MFCD08741391
• PubChem SID: 162081763
• PubChem CID: 21740077

CALCULATED PROPERTIES

• Acid pKa: 7.1728597
• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 2.8749778
• LogD (pH = 7.4): 2.4607885
• Log P: 2.884029
• Molar Refractivity: 41.8342 cm^3
• Polarizability: 16.007835 Å^3
• Polar Surface Area: 20.23 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: Irritant/Keep Cold/Light Sensitive

Product Information

• Purity: 98%