7-iodo-2,3-dihydro-1-benzofuran

• ChemBase ID: 101067
• Molecular Formular: C8H7IO
• Molecular Mass: 246.04505
• Monoisotopic Mass: 245.95416284
• SMILES: c12OCCc2cccc1I
• Canonical SMILES: Ic1cccc2c1OCC2
• InChI: InChI=1S/C8H7IO/c9-7-3-1-2-6-4-5-10-8(6)7/h1-3H,4-5H2
• InChIKey: IASDAJCCAFGOCE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 7-iodo-2,3-dihydro-1-benzofuran
• IUPAC Traditional name: 7-iodo-2,3-dihydro-1-benzofuran
• Synonyms: 7-iodo-2,3-dihydrobenzo[b]furan

Database IDs

• CAS Number: 264617-03-0
• MDL Number: MFCD11109311
• PubChem SID: 162086714
• PubChem CID: 33589431

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 2.7844076
• LogD (pH = 7.4): 2.7844076
• Log P: 2.7844076
• Molar Refractivity: 49.1933 cm^3
• Polarizability: 19.061441 Å^3
• Polar Surface Area: 9.23 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 97%