2-amino-4-iodophenol

• ChemBase ID: 272123
• Molecular Formular: C6H6INO
• Molecular Mass: 235.02241
• Monoisotopic Mass: 234.94941182
• SMILES: c1(cc(ccc1O)I)N
• Canonical SMILES: Ic1ccc(c(c1)N)O
• InChI: InChI=1S/C6H6INO/c7-4-1-2-6(9)5(8)3-4/h1-3,9H,8H2
• InChIKey: JRCVKCSFJNERAW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-amino-4-iodophenol
• IUPAC Traditional name: 2-amino-4-iodophenol
• Synonyms: 2-amino-4-iodophenol

Database IDs

• MDL Number: MFCD14705890
• PubChem SID: 164328033
• PubChem CID: 14549397

CALCULATED PROPERTIES

• Acid pKa: 9.895246
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): 1.7633591
• LogD (pH = 7.4): 1.768212
• Log P: 1.769699
• Molar Refractivity: 46.1018 cm^3
• Polarizability: 17.328812 Å^3
• Polar Surface Area: 46.25 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 135 - 137°C
• Hydrophobicity(logP): 2.122

Product Information

• Purity: 95%