2-fluoro-4-iodobenzaldehyde

• ChemBase ID: 67656
• Molecular Formular: C7H4FIO
• Molecular Mass: 250.0089332
• Monoisotopic Mass: 249.92909097
• SMILES: C(=O)c1c(cc(cc1)I)F
• Canonical SMILES: O=Cc1ccc(cc1F)I
• InChI: InChI=1S/C7H4FIO/c8-7-3-6(9)2-1-5(7)4-10/h1-4H
• InChIKey: LMDKAOXRCQPCAW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-fluoro-4-iodobenzaldehyde
• IUPAC Traditional name: 2-fluoro-4-iodobenzaldehyde
• Synonyms: 2-Fluoro-4-iodobenzaldehyde; 3-Fluoro-4-formyliodobenzene

Database IDs

• CAS Number: 699016-40-5
• MDL Number: MFCD07782056
• PubChem SID: 162033391
• PubChem CID: 4090083

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: 17.303522 Å^3
• Polar Surface Area: 17.07 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT; Irritant
• TSCA Listed: false

Product Information

• Purity: 95+%