2,3-difluoro-4-iodobenzaldehyde

• ChemBase ID: 288901
• Molecular Formular: C7H3F2IO
• Molecular Mass: 267.9993964
• Monoisotopic Mass: 267.91966916
• SMILES: O=Cc1ccc(I)c(F)c1F
• Canonical SMILES: O=Cc1ccc(c(c1F)F)I
• InChI: InChI=1S/C7H3F2IO/c8-6-4(3-11)1-2-5(10)7(6)9/h1-3H
• InChIKey: NQOUDZZHNAVUHU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2,3-difluoro-4-iodobenzaldehyde
• IUPAC Traditional name: 2,3-difluoro-4-iodobenzaldehyde
• Synonyms: 2,3-Difluoro-4-iodobenzaldehyde

Database IDs

• CAS Number: 885590-99-8
• PubChem SID: 180674432
• PubChem CID: 24774052

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 2.9000964
• LogD (pH = 7.4): 2.9000964
• Log P: 2.9000964
• Molar Refractivity: 46.4373 cm^3
• Polarizability: 17.247086 Å^3
• Polar Surface Area: 17.07 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%