2,5-dibromofuran

• ChemBase ID: 71740
• Molecular Formular: C4H2Br2O
• Molecular Mass: 225.86608
• Monoisotopic Mass: 223.84723868
• SMILES: o1c(ccc1Br)Br
• Canonical SMILES: Brc1ccc(o1)Br
• InChI: InChI=1S/C4H2Br2O/c5-3-1-2-4(6)7-3/h1-2H
• InChIKey: LACYYWKMIJOHLU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2,5-dibromofuran
• IUPAC Traditional name: 2,5-dibromofuran
• Synonyms: 2,5-Dibromofuran

Database IDs

• CAS Number: 32460-00-7
• MDL Number: MFCD00191342
• PubChem SID: 162037149
• PubChem CID: 10878846

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 2.0517075
• LogD (pH = 7.4): 2.0517075
• Log P: 2.0517075
• Molar Refractivity: 33.381 cm^3
• Polarizability: 13.542685 Å^3
• Polar Surface Area: 13.14 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT