2-iodophenyl acetate

• ChemBase ID: 41534
• Molecular Formular: C8H7IO2
• Molecular Mass: 262.04445
• Monoisotopic Mass: 261.94907746
• SMILES: O(c1c(I)cccc1)C(=O)C
• Canonical SMILES: CC(=O)Oc1ccccc1I
• InChI: InChI=1S/C8H7IO2/c1-6(10)11-8-5-3-2-4-7(8)9/h2-5H,1H3
• InChIKey: SNIVHZRVLQLTLY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-iodophenyl acetate
• IUPAC Traditional name: 2-iodophenylacetate
• Synonyms: 2-Iodophenyl acetate

Database IDs

• CAS Number: 32865-61-5
• MDL Number: MFCD07780625
• PubChem SID: 162046297
• PubChem CID: 141750

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 2.5094512
• LogD (pH = 7.4): 2.5094512
• Log P: 2.5094512
• Molar Refractivity: 50.5529 cm^3
• Polarizability: 20.002558 Å^3
• Polar Surface Area: 26.3 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: Oil

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: >95%