1-fluoro-4-iodo-2-methoxybenzene

• ChemBase ID: 289568
• Molecular Formular: C7H6FIO
• Molecular Mass: 252.0248132
• Monoisotopic Mass: 251.94474103
• SMILES: COc1c(F)ccc(I)c1
• Canonical SMILES: COc1cc(I)ccc1F
• InChI: InChI=1S/C7H6FIO/c1-10-7-4-5(9)2-3-6(7)8/h2-4H,1H3
• InChIKey: FCDKZLAZICFOHU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-fluoro-4-iodo-2-methoxybenzene
• IUPAC Traditional name: 1-fluoro-4-iodo-2-methoxybenzene
• Synonyms: 1-Fluoro-4-iodo-2-methoxybenzene

Database IDs

• CAS Number: 773855-64-4
• PubChem SID: 180675099
• PubChem CID: 26598241

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 2.8872209
• LogD (pH = 7.4): 2.8872209
• Log P: 2.8872209
• Molar Refractivity: 46.1001 cm^3
• Polarizability: 17.886713 Å^3
• Polar Surface Area: 9.23 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%