ChemSpider 2D Image | 2-Methoxy-4-[(1E)-3-methoxy-3-oxo-1-propen-1-yl]phenyl 2-bromobenzoate | C18H15BrO5

2-Methoxy-4-[(1E)-3-methoxy-3-oxo-1-propen-1-yl]phenyl 2-bromobenzoate

  • Molecular FormulaC18H15BrO5
  • Average mass391.213 Da
  • Monoisotopic mass390.010284 Da
  • ChemSpider ID22878005

  • Double-bond stereo - Double-bond stereo

More details:

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

2-Bromobenzoate de 2-méthoxy-4-[(1E)-3-méthoxy-3-oxo-1-propén-1-yl]phényle [French] [ACD/IUPAC Name]
2-Methoxy-4-[(1E)-3-methoxy-3-oxo-1-propen-1-yl]phenyl 2-bromobenzoate [ACD/IUPAC Name]
2-Methoxy-4-[(1E)-3-methoxy-3-oxo-1-propen-1-yl]phenyl-2-brombenzoat [German] [ACD/IUPAC Name]
Benzoic acid, 2-bromo-, 2-methoxy-4-[(1E)-3-methoxy-3-oxo-1-propen-1-yl]phenyl ester [ACD/Index Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 543.8±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 82.2±3.0 kJ/mol
Flash Point: 282.7±30.1 °C
Index of Refraction: 1.607
Molar Refractivity: 94.6±0.3 cm3
#H bond acceptors: 5
#H bond donors: 0
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 3.89
ACD/LogD (pH 5.5): 4.24
ACD/BCF (pH 5.5): 990.13
ACD/KOC (pH 5.5): 4851.97
ACD/LogD (pH 7.4): 4.24
ACD/BCF (pH 7.4): 990.13
ACD/KOC (pH 7.4): 4851.97
Polar Surface Area: 62 Å2
Polarizability: 37.5±0.5 10-24cm3
Surface Tension: 47.5±3.0 dyne/cm
Molar Volume: 274.0±3.0 cm3

Click to predict properties on the Chemicalize site


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