2-iodo-6-methoxybenzaldehyde

• ChemBase ID: 812861
• Molecular Formular: C8H7IO2
• Molecular Mass: 262.04445
• Monoisotopic Mass: 261.94907746
• SMILES: c1(c(cccc1OC)I)C=O
• Canonical SMILES: COc1cccc(c1C=O)I
• InChI: InChI=1S/C8H7IO2/c1-11-8-4-2-3-7(9)6(8)5-10/h2-5H,1H3
• InChIKey: LZAUUWTZEOYENR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-iodo-6-methoxybenzaldehyde
• IUPAC Traditional name: 2-iodo-6-methoxybenzaldehyde
• Synonyms: 2-IODO-6-METHOXY-BENZALDEHYDE

Database IDs

• CAS Number: 5025-59-2

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 2.4570215
• LogD (pH = 7.4): 2.4570215
• Log P: 2.4570215
• Molar Refractivity: 52.4677 cm^3
• Polarizability: 19.98423 Å^3
• Polar Surface Area: 26.3 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%