2,4-diiodo-5-methoxyaniline

• ChemBase ID: 266423
• Molecular Formular: C7H7I2NO
• Molecular Mass: 374.94552
• Monoisotopic Mass: 374.86170985
• SMILES: c1c(c(cc(c1I)OC)N)I
• Canonical SMILES: COc1cc(N)c(cc1I)I
• InChI: InChI=1S/C7H7I2NO/c1-11-7-3-6(10)4(8)2-5(7)9/h2-3H,10H2,1H3
• InChIKey: PBMVWEZIWGPXPX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2,4-diiodo-5-methoxyaniline
• IUPAC Traditional name: 2,4-diiodo-5-methoxyaniline
• Synonyms: 2,4-diiodo-5-methoxyaniline

Database IDs

• MDL Number: MFCD13186706
• PubChem SID: 164322333
• PubChem CID: 14040292

CALCULATED PROPERTIES

• Log P: 2.8445375
• Molar Refractivity: 63.9466 cm^3
• Polarizability: 24.701939 Å^3
• Polar Surface Area: 35.25 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 2.8441207
• LogD (pH = 7.4): 2.8445323

PROPERTIES

Physical Property

• Hydrophobicity(logP): 3.256

Product Information

• Purity: 95%