5-bromo-N,N-dimethylfuran-2-carboxamide

• ChemBase ID: 311943
• Molecular Formular: C7H8BrNO2
• Molecular Mass: 218.04792
• Monoisotopic Mass: 216.9738405
• SMILES: c1(C(=O)N(C)C)oc(cc1)Br
• Canonical SMILES: CN(C(=O)c1ccc(o1)Br)C
• InChI: InChI=1S/C7H8BrNO2/c1-9(2)7(10)5-3-4-6(8)11-5/h3-4H,1-2H3
• InChIKey: YCJKKQRKIVZSLB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-bromo-N,N-dimethylfuran-2-carboxamide
• IUPAC Traditional name: 5-bromo-N,N-dimethylfuran-2-carboxamide
• Synonyms: 5-bromo-N,N-dimethyl-2-furamide

Database IDs

• CAS Number: 31136-79-5
• MDL Number: MFCD06093354

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 0.800593
• LogD (pH = 7.4): 0.800593
• Log P: 0.800593
• Molar Refractivity: 44.7255 cm^3
• Polarizability: 16.819798 Å^3
• Polar Surface Area: 33.45 Å^2