5-bromo-N-cyclopropylfuran-2-carboxamide

• ChemBase ID: 311931
• Molecular Formular: C8H8BrNO2
• Molecular Mass: 230.05862
• Monoisotopic Mass: 228.9738405
• SMILES: c1(C(=O)NC2CC2)oc(cc1)Br
• Canonical SMILES: O=C(c1ccc(o1)Br)NC1CC1
• InChI: InChI=1S/C8H8BrNO2/c9-7-4-3-6(12-7)8(11)10-5-1-2-5/h3-5H,1-2H2,(H,10,11)
• InChIKey: PMSFSZXTIBYUBX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-bromo-N-cyclopropylfuran-2-carboxamide
• IUPAC Traditional name: 5-bromo-N-cyclopropylfuran-2-carboxamide
• Synonyms: 5-bromo-N-cyclopropyl-2-furamide

Database IDs

• CAS Number: 352682-00-9
• MDL Number: MFCD01354260

CALCULATED PROPERTIES

• Polarizability: 17.928524 Å^3
• Polar Surface Area: 42.24 Å^2
• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 1.0424814
• LogD (pH = 7.4): 1.0424813
• Log P: 1.0424814
• Molar Refractivity: 47.04 cm^3