2-bromo-N-(furan-2-ylmethyl)acetamide

• ChemBase ID: 307806
• Molecular Formular: C7H8BrNO2
• Molecular Mass: 218.04792
• Monoisotopic Mass: 216.9738405
• SMILES: c1(occc1)CNC(=O)CBr
• Canonical SMILES: BrCC(=O)NCc1ccco1
• InChI: InChI=1S/C7H8BrNO2/c8-4-7(10)9-5-6-2-1-3-11-6/h1-3H,4-5H2,(H,9,10)
• InChIKey: FIMXODYBCGBCRR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-bromo-N-(furan-2-ylmethyl)acetamide
• IUPAC Traditional name: 2-bromo-N-(furan-2-ylmethyl)acetamide
• Synonyms: 2-bromo-N-(2-furylmethyl)acetamide

Database IDs

• CAS Number: 89791-75-3
• MDL Number: MFCD06800187

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 0.7009432
• LogD (pH = 7.4): 0.7006784
• Log P: 0.70094657
• Molar Refractivity: 44.1028 cm^3
• Polarizability: 16.852917 Å^3
• Polar Surface Area: 42.24 Å^2