4-ethoxy-3-iodobenzaldehyde

• ChemBase ID: 311539
• Molecular Formular: C9H9IO2
• Molecular Mass: 276.07103
• Monoisotopic Mass: 275.96472753
• SMILES: c1(c(ccc(c1)C=O)OCC)I
• Canonical SMILES: CCOc1ccc(cc1I)C=O
• InChI: InChI=1S/C9H9IO2/c1-2-12-9-4-3-7(6-11)5-8(9)10/h3-6H,2H2,1H3
• InChIKey: ZMSKRAIPMCFCQI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-ethoxy-3-iodobenzaldehyde
• IUPAC Traditional name: 4-ethoxy-3-iodobenzaldehyde
• Synonyms: 4-ethoxy-3-iodobenzaldehyde

Database IDs

• CAS Number: 184033-45-2
• MDL Number: MFCD02629428

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 2.8138294
• LogD (pH = 7.4): 2.8138294
• Log P: 2.8138294
• Molar Refractivity: 57.2163 cm^3
• Polarizability: 21.788778 Å^3
• Polar Surface Area: 26.3 Å^2