5-fluoro-2-iodobenzaldehyde

• ChemBase ID: 286849
• Molecular Formular: C7H4FIO
• Molecular Mass: 250.0089332
• Monoisotopic Mass: 249.92909097
• SMILES: O=Cc1cc(F)ccc1I
• Canonical SMILES: O=Cc1cc(F)ccc1I
• InChI: InChI=1S/C7H4FIO/c8-6-1-2-7(9)5(3-6)4-10/h1-4H
• InChIKey: KSDLYLRIDDWCNS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-fluoro-2-iodobenzaldehyde
• IUPAC Traditional name: 5-fluoro-2-iodobenzaldehyde
• Synonyms: 5-Fluoro-2-iodobenzaldehyde

Database IDs

• CAS Number: 877264-44-3
• PubChem SID: 180672380
• PubChem CID: 29919737

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 2.7573946
• LogD (pH = 7.4): 2.7573946
• Log P: 2.7573946
• Molar Refractivity: 46.2209 cm^3
• Polarizability: 17.305412 Å^3
• Polar Surface Area: 17.07 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%; 97%