3-fluoro-4-iodobenzaldehyde

• ChemBase ID: 286853
• Molecular Formular: C7H4FIO
• Molecular Mass: 250.0089332
• Monoisotopic Mass: 249.92909097
• SMILES: O=Cc1ccc(I)c(F)c1
• Canonical SMILES: O=Cc1ccc(c(c1)F)I
• InChI: InChI=1S/C7H4FIO/c8-6-3-5(4-10)1-2-7(6)9/h1-4H
• InChIKey: CGQJITDLUBMLFF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-fluoro-4-iodobenzaldehyde
• IUPAC Traditional name: 3-fluoro-4-iodobenzaldehyde
• Synonyms: 3-Fluoro-4-iodobenzaldehyde

Database IDs

• CAS Number: 1003709-57-6
• PubChem SID: 180672384
• PubChem CID: 45073628

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: 17.312302 Å^3
• Polar Surface Area: 17.07 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%