ChemSpider 2D Image | 3-(2-Bromoethyl)-1-methyl-5-nitro-2,4(1H,3H)-pyrimidinedione | C7H8BrN3O4

3-(2-Bromoethyl)-1-methyl-5-nitro-2,4(1H,3H)-pyrimidinedione

  • Molecular FormulaC7H8BrN3O4
  • Average mass278.060 Da
  • Monoisotopic mass276.969818 Da
  • ChemSpider ID43581403

More details:

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

2,4(1H,3H)-Pyrimidinedione, 3-(2-bromoethyl)-1-methyl-5-nitro- [ACD/Index Name]
3-(2-Bromethyl)-1-methyl-5-nitro-2,4(1H,3H)-pyrimidindion [German] [ACD/IUPAC Name]
3-(2-Bromoethyl)-1-methyl-5-nitro-2,4(1H,3H)-pyrimidinedione [ACD/IUPAC Name]
3-(2-Bromoéthyl)-1-méthyl-5-nitro-2,4(1H,3H)-pyrimidinedione [French] [ACD/IUPAC Name]
1341417-87-5 [RN]
MFCD18888850

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

Density: 1.8±0.1 g/cm3
Boiling Point: 340.3±52.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.7 mmHg at 25°C
Enthalpy of Vaporization: 58.4±3.0 kJ/mol
Flash Point: 159.6±30.7 °C
Index of Refraction: 1.625
Molar Refractivity: 53.9±0.4 cm3
#H bond acceptors: 7
#H bond donors: 0
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 0.89
ACD/LogD (pH 5.5): 0.93
ACD/BCF (pH 5.5): 2.98
ACD/KOC (pH 5.5): 76.02
ACD/LogD (pH 7.4): 0.93
ACD/BCF (pH 7.4): 2.98
ACD/KOC (pH 7.4): 76.02
Polar Surface Area: 86 Å2
Polarizability: 21.3±0.5 10-24cm3
Surface Tension: 69.2±5.0 dyne/cm
Molar Volume: 152.3±5.0 cm3

Click to predict properties on the Chemicalize site


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