(3-fluoro-4-iodophenyl)methanol

• ChemBase ID: 291685
• Molecular Formular: C7H6FIO
• Molecular Mass: 252.0248132
• Monoisotopic Mass: 251.94474103
• SMILES: OCc1ccc(I)c(F)c1
• Canonical SMILES: OCc1ccc(c(c1)F)I
• InChI: InChI=1S/C7H6FIO/c8-6-3-5(4-10)1-2-7(6)9/h1-3,10H,4H2
• InChIKey: CJCIAGJETMTBJI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (3-fluoro-4-iodophenyl)methanol
• IUPAC Traditional name: (3-fluoro-4-iodophenyl)methanol
• Synonyms: (3-Fluoro-4-iodophenyl)methanol

Database IDs

• CAS Number: 1261615-96-6
• MDL Number: MFCD18396947
• PubChem SID: 180677216
• PubChem CID: 70700244

CALCULATED PROPERTIES

• Acid pKa: 14.811383
• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 2.2775424
• LogD (pH = 7.4): 2.2775424
• Log P: 2.2775424
• Molar Refractivity: 46.4528 cm^3
• Polarizability: 17.842886 Å^3
• Polar Surface Area: 20.23 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%