1,2-difluoro-3-iodo-4-methoxybenzene

• ChemBase ID: 801039
• Molecular Formular: C7H5F2IO
• Molecular Mass: 270.0152764
• Monoisotopic Mass: 269.93531922
• SMILES: c1(c(c(c(cc1)OC)I)F)F
• Canonical SMILES: COc1ccc(c(c1I)F)F
• InChI: InChI=1S/C7H5F2IO/c1-11-5-3-2-4(8)6(9)7(5)10/h2-3H,1H3
• InChIKey: DEJBZAWEAMZDTM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1,2-difluoro-3-iodo-4-methoxybenzene
• IUPAC Traditional name: 1,2-difluoro-3-iodo-4-methoxybenzene
• Synonyms: 1,2-Difluoro-3-iodo-4-methoxy-benzene

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 3.029923
• LogD (pH = 7.4): 3.029923
• Log P: 3.029923
• Molar Refractivity: 46.3165 cm^3
• Polarizability: 17.829573 Å^3
• Polar Surface Area: 9.23 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 97%