6-bromo-2,3-dihydro-1-benzofuran

• ChemBase ID: 310136
• Molecular Formular: C8H7BrO
• Molecular Mass: 199.04458
• Monoisotopic Mass: 197.96802684
• SMILES: c12cc(ccc2CCO1)Br
• Canonical SMILES: Brc1ccc2c(c1)OCC2
• InChI: InChI=1S/C8H7BrO/c9-7-2-1-6-3-4-10-8(6)5-7/h1-2,5H,3-4H2
• InChIKey: BQWBDYZMUCSEHK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-bromo-2,3-dihydro-1-benzofuran
• IUPAC Traditional name: 6-bromo-2,3-dihydro-1-benzofuran
• Synonyms: 6-bromo-2,3-dihydro-1-benzofuran

Database IDs

• CAS Number: 189035-22-1

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 2.6242156
• LogD (pH = 7.4): 2.6242156
• Log P: 2.6242156
• Molar Refractivity: 43.4536 cm^3
• Polarizability: 16.694456 Å^3
• Polar Surface Area: 9.23 Å^2