ChemSpider 2D Image | 3-(Bromoacetyl)-7-methoxy-2H-chromen-2-one | C12H9BrO4

3-(Bromoacetyl)-7-methoxy-2H-chromen-2-one

  • Molecular FormulaC12H9BrO4
  • Average mass297.102 Da
  • Monoisotopic mass295.968414 Da
  • ChemSpider ID26456594

More details:

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

2H-1-Benzopyran-2-one, 3-(2-bromoacetyl)-7-methoxy- [ACD/Index Name]
3-(2-Bromoacétyl)-7-méthoxy-2H-chromén-2-one [French] [ACD/IUPAC Name]
3-(Bromacetyl)-7-methoxy-2H-chromen-2-on [German] [ACD/IUPAC Name]
3-(Bromoacetyl)-7-methoxy-2H-chromen-2-one [ACD/IUPAC Name]
[106578-18-1] [RN]
106578-18-1 [RN]
144663-93-4 [RN]
2H-1-BENZOPYRAN-2-ONE, 3-(BROMOACETYL)-7-METHOXY-
3-(2-BROMOACETYL)-7-METHOXY-2H-CHROMEN-2-ONE
3-(2-Bromo-acetyl)-7-methoxy-chromen-2-one
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Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.6±0.1 g/cm3
Boiling Point: 459.1±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.1 mmHg at 25°C
Enthalpy of Vaporization: 72.0±3.0 kJ/mol
Flash Point: 231.5±28.7 °C
Index of Refraction: 1.607
Molar Refractivity: 63.4±0.3 cm3
#H bond acceptors: 4
#H bond donors: 0
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 2.26
ACD/LogD (pH 5.5): 2.34
ACD/BCF (pH 5.5): 35.18
ACD/KOC (pH 5.5): 445.09
ACD/LogD (pH 7.4): 2.34
ACD/BCF (pH 7.4): 35.18
ACD/KOC (pH 7.4): 445.09
Polar Surface Area: 53 Å2
Polarizability: 25.1±0.5 10-24cm3
Surface Tension: 54.5±3.0 dyne/cm
Molar Volume: 183.5±3.0 cm3

Click to predict properties on the Chemicalize site


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