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

• ChemBase ID: 287981
• Molecular Formular: C8H7BrO
• Molecular Mass: 199.04458
• Monoisotopic Mass: 197.96802684
• SMILES: Brc1c2OCCc2ccc1
• Canonical SMILES: Brc1cccc2c1OCC2
• InChI: InChI=1S/C8H7BrO/c9-7-3-1-2-6-4-5-10-8(6)7/h1-3H,4-5H2
• InChIKey: VGOUXHRZQNPOPY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 7-bromo-2,3-dihydro-1-benzofuran
• IUPAC Traditional name: 7-bromo-2,3-dihydro-1-benzofuran
• Synonyms: 7-Bromo-2,3-dihydrobenzofuran

Database IDs

• CAS Number: 206347-30-0
• PubChem SID: 180673512
• PubChem CID: 22571869

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: 16.701424 Å^3
• Polar Surface Area: 9.23 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%; 97%