4-(5-bromofuran-2-carbonyl)morpholine

• ChemBase ID: 310693
• Molecular Formular: C9H10BrNO3
• Molecular Mass: 260.0846
• Monoisotopic Mass: 258.98440519
• SMILES: c1(C(=O)N2CCOCC2)oc(cc1)Br
• Canonical SMILES: O=C(c1ccc(o1)Br)N1CCOCC1
• InChI: InChI=1S/C9H10BrNO3/c10-8-2-1-7(14-8)9(12)11-3-5-13-6-4-11/h1-2H,3-6H2
• InChIKey: NQZPCIJOKKPJBZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-(5-bromofuran-2-carbonyl)morpholine
• IUPAC Traditional name: 4-(5-bromofuran-2-carbonyl)morpholine
• Synonyms: 4-(5-bromo-2-furoyl)morpholine

Database IDs

• CAS Number: 57785-37-2
• MDL Number: MFCD00460882

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 0.5820925
• LogD (pH = 7.4): 0.5820925
• Log P: 0.5820925
• Molar Refractivity: 53.8 cm^3
• Polarizability: 20.507265 Å^3
• Polar Surface Area: 42.68 Å^2