ChemSpider 2D Image | 2-(4,5-Dibromo-1H-pyrrol-2-yl)-4H-chromen-4-one | C13H7Br2NO2

2-(4,5-Dibromo-1H-pyrrol-2-yl)-4H-chromen-4-one

  • Molecular FormulaC13H7Br2NO2
  • Average mass369.008 Da
  • Monoisotopic mass366.884338 Da
  • ChemSpider ID30817238

More details:

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

2-(4,5-Dibrom-1H-pyrrol-2-yl)-4H-chromen-4-on [German] [ACD/IUPAC Name]
2-(4,5-Dibromo-1H-pyrrol-2-yl)-4H-chromen-4-one [ACD/IUPAC Name]
2-(4,5-Dibromo-1H-pyrrol-2-yl)-4H-chromén-4-one [French] [ACD/IUPAC Name]
4H-1-Benzopyran-4-one, 2-(4,5-dibromo-1H-pyrrol-2-yl)- [ACD/Index Name]

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

Density: 1.9±0.1 g/cm3
Boiling Point: 514.1±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 78.6±3.0 kJ/mol
Flash Point: 264.7±30.1 °C
Index of Refraction: 1.707
Molar Refractivity: 74.0±0.3 cm3
#H bond acceptors: 3
#H bond donors: 1
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: 3.80
ACD/LogD (pH 5.5): 3.82
ACD/BCF (pH 5.5): 468.97
ACD/KOC (pH 5.5): 2841.89
ACD/LogD (pH 7.4): 3.82
ACD/BCF (pH 7.4): 468.96
ACD/KOC (pH 7.4): 2841.88
Polar Surface Area: 42 Å2
Polarizability: 29.3±0.5 10-24cm3
Surface Tension: 64.9±3.0 dyne/cm
Molar Volume: 190.0±3.0 cm3

Click to predict properties on the Chemicalize site


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