2-chloro-5-iodophenol

• ChemBase ID: 91107
• Molecular Formular: C6H4ClIO
• Molecular Mass: 254.45283
• Monoisotopic Mass: 253.89954043
• SMILES: Oc1c(ccc(c1)I)Cl
• Canonical SMILES: Ic1ccc(c(c1)O)Cl
• InChI: InChI=1S/C6H4ClIO/c7-5-2-1-4(8)3-6(5)9/h1-3,9H
• InChIKey: NNZXUSFOILSDCS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-chloro-5-iodophenol
• IUPAC Traditional name: 2-chloro-5-iodophenol
• Synonyms: 2-Chloro-5-iodophenol

Database IDs

• CAS Number: 289039-26-5
• MDL Number: MFCD00672969
• PubChem SID: 162077811
• PubChem CID: 1714412

CALCULATED PROPERTIES

• Acid pKa: 7.334036
• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 3.1963975
• LogD (pH = 7.4): 2.8710456
• Log P: 3.2026696
• Molar Refractivity: 46.2062 cm^3
• Polarizability: 18.16093 Å^3
• Polar Surface Area: 20.23 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: Harmful/Irritant/Light Sensitive/Keep Cold/Store under Argon

Product Information

• Purity: 98%