1-iodonaphthalen-2-ol

• ChemBase ID: 87092
• Molecular Formular: C10H7IO
• Molecular Mass: 270.06645
• Monoisotopic Mass: 269.95416284
• SMILES: Ic1c2c(ccc1O)cccc2
• Canonical SMILES: Oc1ccc2c(c1I)cccc2
• InChI: InChI=1S/C10H7IO/c11-10-8-4-2-1-3-7(8)5-6-9(10)12/h1-6,12H
• InChIKey: JEVGGOSILOIIHN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-iodonaphthalen-2-ol
• IUPAC Traditional name: 1-iodonaphthalen-2-ol
• Synonyms: 1-iodo-2-naphthol

Database IDs

• CAS Number: 2033-42-3
• MDL Number: MFCD00046371
• PubChem SID: 162074208
• PubChem CID: 16250

CALCULATED PROPERTIES

• Acid pKa: 8.17394
• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 3.587189
• LogD (pH = 7.4): 3.5210507
• Log P: 3.5881016
• Molar Refractivity: 57.8516 cm^3
• Polarizability: 23.427885 Å^3
• Polar Surface Area: 20.23 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%

DETAILS

MP Biomedicals - 05208515

MP Biomedicals Rare Chemical collection