ChemSpider 2D Image | 3-(5-Iodo-3-methyl-2,6-dioxo-3,6-dihydro-1(2H)-pyrimidinyl)propanenitrile | C8H8IN3O2

3-(5-Iodo-3-methyl-2,6-dioxo-3,6-dihydro-1(2H)-pyrimidinyl)propanenitrile

  • Molecular FormulaC8H8IN3O2
  • Average mass305.073 Da
  • Monoisotopic mass304.966125 Da
  • ChemSpider ID35159548

More details:

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

1(2H)-Pyrimidinepropanenitrile, 3,6-dihydro-5-iodo-3-methyl-2,6-dioxo- [ACD/Index Name]
3-(5-Iod-3-methyl-2,6-dioxo-3,6-dihydro-1(2H)-pyrimidinyl)propannitril [German] [ACD/IUPAC Name]
3-(5-Iodo-3-methyl-2,6-dioxo-3,6-dihydro-1(2H)-pyrimidinyl)propanenitrile [ACD/IUPAC Name]
3-(5-Iodo-3-méthyl-2,6-dioxo-3,6-dihydro-1(2H)-pyrimidinyl)propanenitrile [French] [ACD/IUPAC Name]
1465386-27-9 [RN]

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

Density: 1.9±0.1 g/cm3
Boiling Point: 380.2±52.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.9 mmHg at 25°C
Enthalpy of Vaporization: 62.8±3.0 kJ/mol
Flash Point: 183.7±30.7 °C
Index of Refraction: 1.655
Molar Refractivity: 57.6±0.4 cm3
#H bond acceptors: 5
#H bond donors: 0
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 0.89
ACD/LogD (pH 5.5): 0.59
ACD/BCF (pH 5.5): 1.66
ACD/KOC (pH 5.5): 49.97
ACD/LogD (pH 7.4): 0.59
ACD/BCF (pH 7.4): 1.66
ACD/KOC (pH 7.4): 49.97
Polar Surface Area: 64 Å2
Polarizability: 22.8±0.5 10-24cm3
Surface Tension: 69.4±5.0 dyne/cm
Molar Volume: 156.9±5.0 cm3

Click to predict properties on the Chemicalize site


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