5-bromo-3-phenyl-1-benzofuran

• ChemBase ID: 810737
• Molecular Formular: C14H9BrO
• Molecular Mass: 273.12466
• Monoisotopic Mass: 271.98367691
• SMILES: o1cc(c2cc(ccc12)Br)c1ccccc1
• Canonical SMILES: Brc1ccc2c(c1)c(co2)c1ccccc1
• InChI: InChI=1S/C14H9BrO/c15-11-6-7-14-12(8-11)13(9-16-14)10-4-2-1-3-5-10/h1-9H
• InChIKey: HKXLEIWOSHPMLX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-bromo-3-phenyl-1-benzofuran
• IUPAC Traditional name: 5-bromo-3-phenyl-1-benzofuran
• Synonyms: 5-BROMO-3-PHENYLBENZOFURAN

Database IDs

• CAS Number: 63362-84-5

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 4.548347
• LogD (pH = 7.4): 4.548347
• Log P: 4.548347
• Molar Refractivity: 67.6581 cm^3
• Polarizability: 28.296875 Å^3
• Polar Surface Area: 13.14 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%