5,7-dibromo-2,3-dihydro-1-benzofuran

• ChemBase ID: 82812
• Molecular Formular: C8H6Br2O
• Molecular Mass: 277.94064
• Monoisotopic Mass: 275.87853881
• SMILES: O1c2c(cc(cc2Br)Br)CC1
• Canonical SMILES: Brc1cc(Br)c2c(c1)CCO2
• InChI: InChI=1S/C8H6Br2O/c9-6-3-5-1-2-11-8(5)7(10)4-6/h3-4H,1-2H2
• InChIKey: NJQJUJHJJZMVNB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5,7-dibromo-2,3-dihydro-1-benzofuran
• IUPAC Traditional name: 5,7-dibromo-2,3-dihydro-1-benzofuran
• Synonyms: 5,7-Dibromo-2,3-dihydrobenzofuran; 5,7-dibromo-2,3-dihydro-1-benzofuran

Database IDs

• CAS Number: 123266-59-1
• MDL Number: MFCD00191427
• PubChem SID: 162069931
• PubChem CID: 2779135

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 3.3929684
• LogD (pH = 7.4): 3.3929684
• Log P: 3.3929684
• Molar Refractivity: 51.0764 cm^3
• Polarizability: 19.777664 Å^3
• Polar Surface Area: 9.23 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%