2,3-difluoro-6-iodophenyl acetate

• ChemBase ID: 810611
• Molecular Formular: C8H5F2IO2
• Molecular Mass: 298.0253764
• Monoisotopic Mass: 297.93023384
• SMILES: CC(=O)Oc1c(c(ccc1I)F)F
• Canonical SMILES: CC(=O)Oc1c(I)ccc(c1F)F
• InChI: InChI=1S/C8H5F2IO2/c1-4(12)13-8-6(11)3-2-5(9)7(8)10/h2-3H,1H3
• InChIKey: QDKWKPIGYIVZQO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2,3-difluoro-6-iodophenyl acetate
• IUPAC Traditional name: 2,3-difluoro-6-iodophenyl acetate
• Synonyms: 6-IODO-2,3-DIFLUOROBENZENE ACETIC ACID

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 2.794855
• LogD (pH = 7.4): 2.794855
• Log P: 2.794855
• Molar Refractivity: 50.9857 cm^3
• Polarizability: 19.8121 Å^3
• Polar Surface Area: 26.3 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%