2-iodo-4-methoxyaniline

• ChemBase ID: 70902
• Molecular Formular: C7H8INO
• Molecular Mass: 249.04899
• Monoisotopic Mass: 248.96506188
• SMILES: Nc1c(cc(cc1)OC)I
• Canonical SMILES: COc1ccc(c(c1)I)N
• InChI: InChI=1S/C7H8INO/c1-10-5-2-3-7(9)6(8)4-5/h2-4H,9H2,1H3
• InChIKey: ASINPZWBVCLVDK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-iodo-4-methoxyaniline
• IUPAC Traditional name: 2-iodo-4-methoxyaniline
• Synonyms: 2-Iodo-4-methoxyphenylamine

Database IDs

• CAS Number: 191348-14-8
• MDL Number: MFCD07776739
• PubChem SID: 162036610
• PubChem CID: 11010336

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 1.9046569
• LogD (pH = 7.4): 1.9154537
• Log P: 1.915593
• Molar Refractivity: 50.5841 cm^3
• Polarizability: 19.192427 Å^3
• Polar Surface Area: 35.25 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: 95+%