ChemSpider 2D Image | 3-Bromo-4-(4-morpholinyl)-3-buten-2-one | C8H12BrNO2

3-Bromo-4-(4-morpholinyl)-3-buten-2-one

  • Molecular FormulaC8H12BrNO2
  • Average mass234.090 Da
  • Monoisotopic mass233.005127 Da
  • ChemSpider ID28675803

More details:

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

3-Brom-4-(4-morpholinyl)-3-buten-2-on [German] [ACD/IUPAC Name]
3-Bromo-4-(4-morpholinyl)-3-buten-2-one [ACD/IUPAC Name]
3-Bromo-4-(4-morpholinyl)-3-butén-2-one [French] [ACD/IUPAC Name]
3-Buten-2-one, 3-bromo-4-(4-morpholinyl)- [ACD/Index Name]
114479-13-9 [RN]
3-Bromo-4-(morpholin-4-yl)but-3-en-2-one

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.5±0.1 g/cm3
Boiling Point: 310.5±42.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.7 mmHg at 25°C
Enthalpy of Vaporization: 55.1±3.0 kJ/mol
Flash Point: 141.6±27.9 °C
Index of Refraction: 1.599
Molar Refractivity: 51.6±0.3 cm3
#H bond acceptors: 3
#H bond donors: 0
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 0.63
ACD/LogD (pH 5.5): 1.15
ACD/BCF (pH 5.5): 4.41
ACD/KOC (pH 5.5): 100.60
ACD/LogD (pH 7.4): 1.15
ACD/BCF (pH 7.4): 4.41
ACD/KOC (pH 7.4): 100.60
Polar Surface Area: 30 Å2
Polarizability: 20.5±0.5 10-24cm3
Surface Tension: 54.0±3.0 dyne/cm
Molar Volume: 151.1±3.0 cm3

Click to predict properties on the Chemicalize site


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