ethyl 5-bromo-3-iodofuran-2-carboxylate

• ChemBase ID: 814064
• Molecular Formular: C7H6BrIO3
• Molecular Mass: 344.92921
• Monoisotopic Mass: 343.85450405
• SMILES: o1c(c(cc1Br)I)C(=O)OCC
• Canonical SMILES: CCOC(=O)c1oc(cc1I)Br
• InChI: InChI=1S/C7H6BrIO3/c1-2-11-7(10)6-4(9)3-5(8)12-6/h3H,2H2,1H3
• InChIKey: IRVOITFJZWGCLS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: ethyl 5-bromo-3-iodofuran-2-carboxylate
• IUPAC Traditional name: ethyl 5-bromo-3-iodofuran-2-carboxylate
• Synonyms: ethyl 5-bromo-3-iodofuran-2-carboxylate

Database IDs

• CAS Number: 1196145-41-1

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 2.79183
• LogD (pH = 7.4): 2.79183
• Log P: 2.79183
• Molar Refractivity: 55.9901 cm^3
• Polarizability: 22.170513 Å^3
• Polar Surface Area: 39.44 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%