4-bromo-1-benzofuran

• ChemBase ID: 162754
• Molecular Formular: C8H5BrO
• Molecular Mass: 197.0287
• Monoisotopic Mass: 195.95237678
• SMILES: c1cc(c2c(c1)occ2)Br
• Canonical SMILES: Brc1cccc2c1cco2
• InChI: InChI=1S/C8H5BrO/c9-7-2-1-3-8-6(7)4-5-10-8/h1-5H
• InChIKey: YFKGZOJEQUDHAD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-bromo-1-benzofuran
• IUPAC Traditional name: 4-bromo-1-benzofuran
• Synonyms: 4-Bromobenzo[b]furan; 4-Bromobenzofuran; 4-bromo-1-benzofuran

Database IDs

• CAS Number: 128868-60-0
• MDL Number: MFCD09056755
• PubChem SID: 162256889
• PubChem CID: 15158721

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 2.9011219
• LogD (pH = 7.4): 2.9011219
• Log P: 2.9011219
• Molar Refractivity: 42.5219 cm^3
• Polarizability: 17.428194 Å^3
• Polar Surface Area: 13.14 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Solubility: Acetone; Chloroform; Ethyl Acetate
• Apperance: Light Yellow Oil
• Hydrophobicity(logP): 3.565

Safety Information

• Storage Condition: Refrigerator, under inert atmosphere

Product Information

• Purity: 95%

DETAILS

Toronto Research Chemicals - B680165

Reagent used in the preparation of aminoalkylbenzofurans as 5-HT2C agonists used as antiobesity and antidepressant agents.