bis(4-methoxyphenyl)iodanium trifluoroborane fluoride

• ChemBase ID: 166849
• Molecular Formular: C14H14BF4IO2
• Molecular Mass: 427.9688428
• Monoisotopic Mass: 428.00677097
• SMILES: c1c(ccc(c1)[I+]c1ccc(cc1)OC)OC.B(F)(F)F.[F-]
• Canonical SMILES: FB(F)F.COc1ccc(cc1)[I+]c1ccc(cc1)OC.[F-]
• InChI: InChI=1S/C14H14IO2.BF3.FH/c1-16-13-7-3-11(4-8-13)15-12-5-9-14(17-2)10-6-12;2-1(3)4;/h3-10H,1-2H3;;1H/q+1;;/p-1
• InChIKey: HJOGGIHDSOUBFZ-UHFFFAOYSA-M

NAMES AND DATABASE IDS

Names

• IUPAC name: bis(4-methoxyphenyl)iodanium trifluoroborane fluoride
• IUPAC Traditional name: bis(4-methoxyphenyl)iodanium boron trifluoride fluoride
• Synonyms: Bis(4-methoxyphenyl)iodonium Tetrafluoroborate; Di(p-anisyl)iodonium Tetrafluoborate

Database IDs

• CAS Number: 1426-58-0
• PubChem SID: 162260982
• PubChem CID: 71315905

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 4.2480626
• LogD (pH = 7.4): 4.2480626
• Log P: 4.2480626
• Molar Refractivity: 77.8212 cm^3
• Polarizability: 33.134468 Å^3
• Polar Surface Area: 18.46 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Solubility: Methanol
• Apperance: White Solid
• Melting Point: 183-185°C