2,6-dichloro-4-iodophenol

• ChemBase ID: 289393
• Molecular Formular: C6H3Cl2IO
• Molecular Mass: 288.89789
• Monoisotopic Mass: 287.86056808
• SMILES: Oc1c(Cl)cc(I)cc1Cl
• Canonical SMILES: Ic1cc(Cl)c(c(c1)Cl)O
• InChI: InChI=1S/C6H3Cl2IO/c7-4-1-3(9)2-5(8)6(4)10/h1-2,10H
• InChIKey: AIGWECICLKWOIR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2,6-dichloro-4-iodophenol
• IUPAC Traditional name: 2,6-dichloro-4-iodophenol
• Synonyms: 2,6-Dichloro-4-iodophenol

Database IDs

• CAS Number: 34074-22-1
• MDL Number: MFCD00466446
• PubChem SID: 180674924
• PubChem CID: 4493083

CALCULATED PROPERTIES

• LogD (pH = 5.5): 3.7043278
• LogD (pH = 7.4): 2.5274873
• Log P: 3.8067143
• Molar Refractivity: 51.011 cm^3
• Polarizability: 20.18628 Å^3
• Polar Surface Area: 20.23 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true
• Acid pKa: 6.0708246
• H Acceptors: 1
• H Donor: 1

PROPERTIES

Product Information

• Purity: 95+%