5-bromo-N-methylfuran-2-carboxamide

• ChemBase ID: 311945
• Molecular Formular: C6H6BrNO2
• Molecular Mass: 204.02134
• Monoisotopic Mass: 202.95819044
• SMILES: c1(oc(cc1)Br)C(=O)NC
• Canonical SMILES: CNC(=O)c1ccc(o1)Br
• InChI: InChI=1S/C6H6BrNO2/c1-8-6(9)4-2-3-5(7)10-4/h2-3H,1H3,(H,8,9)
• InChIKey: QMUCVHLODHSPLZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-bromo-N-methylfuran-2-carboxamide
• IUPAC Traditional name: 5-bromo-N-methylfuran-2-carboxamide
• Synonyms: 5-bromo-N-methyl-2-furamide

Database IDs

• CAS Number: 31136-78-4
• MDL Number: MFCD06093352

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 0.57691693
• LogD (pH = 7.4): 0.5769167
• Log P: 0.57691693
• Molar Refractivity: 39.8288 cm^3
• Polarizability: 15.03658 Å^3
• Polar Surface Area: 42.24 Å^2