7-bromo-4-fluoro-1-benzofuran

• ChemBase ID: 96975
• Molecular Formular: C8H4BrFO
• Molecular Mass: 215.0191632
• Monoisotopic Mass: 213.94295497
• SMILES: o1c2c(ccc(c2cc1)F)Br
• Canonical SMILES: Fc1ccc(c2c1cco2)Br
• InChI: InChI=1S/C8H4BrFO/c9-6-1-2-7(10)5-3-4-11-8(5)6/h1-4H
• InChIKey: IYRKPHRAECMQTJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 7-bromo-4-fluoro-1-benzofuran
• IUPAC Traditional name: 7-bromo-4-fluoro-1-benzofuran
• Synonyms: 7-bromo-4-fluoro-1-benzofuran; 7-Bromo-4-fluorobenzo[b]furan

Database IDs

• CAS Number: 253429-31-1
• MDL Number: MFCD09056781
• PubChem SID: 162083611
• PubChem CID: 22144769

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 3.0438237
• LogD (pH = 7.4): 3.0438237
• Log P: 3.0438237
• Molar Refractivity: 42.7383 cm^3
• Polarizability: 17.244558 Å^3
• Polar Surface Area: 13.14 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: Irritant

Product Information

• Purity: 90%