2-amino-3-iodophenol

• ChemBase ID: 800887
• Molecular Formular: C6H6INO
• Molecular Mass: 235.02241
• Monoisotopic Mass: 234.94941182
• SMILES: c1(c(c(ccc1)I)N)O
• Canonical SMILES: Nc1c(O)cccc1I
• InChI: InChI=1S/C6H6INO/c7-4-2-1-3-5(9)6(4)8/h1-3,9H,8H2
• InChIKey: VMFLCURUMAEIAO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-amino-3-iodophenol
• IUPAC Traditional name: 2-amino-3-iodophenol
• Synonyms: 2-Amino-3-iodo-phenol

Database IDs

• CAS Number: 443921-86-6

CALCULATED PROPERTIES

• Acid pKa: 9.735716
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): 1.7665267
• LogD (pH = 7.4): 1.7676485
• Log P: 1.769699
• Molar Refractivity: 46.1018 cm^3
• Polarizability: 17.335585 Å^3
• Polar Surface Area: 46.25 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%