2-(2,3-difluoro-6-iodophenyl)acetaldehyde

• ChemBase ID: 810623
• Molecular Formular: C8H5F2IO
• Molecular Mass: 282.0259764
• Monoisotopic Mass: 281.93531922
• SMILES: C(C=O)c1c(c(ccc1I)F)F
• Canonical SMILES: O=CCc1c(I)ccc(c1F)F
• InChI: InChI=1S/C8H5F2IO/c9-6-1-2-7(11)5(3-4-12)8(6)10/h1-2,4H,3H2
• InChIKey: POKKFVDISQEGEI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(2,3-difluoro-6-iodophenyl)acetaldehyde
• IUPAC Traditional name: 2-(2,3-difluoro-6-iodophenyl)acetaldehyde
• Synonyms: 2,3-DIFLUORO-6-IODO-PHENYLACETALDEHYDE

CALCULATED PROPERTIES

• Acid pKa: 11.540183
• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 2.6667259
• LogD (pH = 7.4): 2.6666949
• Log P: 2.666726
• Molar Refractivity: 50.2355 cm^3
• Polarizability: 19.010923 Å^3
• Polar Surface Area: 17.07 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%