ethyl 4,5-dibromofuran-2-carboxylate

• ChemBase ID: 288549
• Molecular Formular: C7H6Br2O3
• Molecular Mass: 297.92874
• Monoisotopic Mass: 295.86836805
• SMILES: CCOC(=O)c1cc(Br)c(Br)o1
• Canonical SMILES: CCOC(=O)c1oc(c(c1)Br)Br
• InChI: InChI=1S/C7H6Br2O3/c1-2-11-7(10)5-3-4(8)6(9)12-5/h3H,2H2,1H3
• InChIKey: QLZGPQXXFBJHFW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: ethyl 4,5-dibromofuran-2-carboxylate
• IUPAC Traditional name: ethyl 4,5-dibromofuran-2-carboxylate
• Synonyms: Ethyl 4,5-dibromofuran-2-carboxylate

Database IDs

• CAS Number: 54113-42-7
• PubChem SID: 180674080
• PubChem CID: 5161728

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 2.631638
• LogD (pH = 7.4): 2.631638
• Log P: 2.631638
• Molar Refractivity: 50.2504 cm^3
• Polarizability: 19.778793 Å^3
• Polar Surface Area: 39.44 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%