ChemSpider 2D Image | 3-{[4-(Bromomethyl)tetrahydro-2H-pyran-4-yl]methyl}-1-methyl-5-nitro-2,4(1H,3H)-pyrimidinedione | C12H16BrN3O5

3-{[4-(Bromomethyl)tetrahydro-2H-pyran-4-yl]methyl}-1-methyl-5-nitro-2,4(1H,3H)-pyrimidinedione

  • Molecular FormulaC12H16BrN3O5
  • Average mass362.177 Da
  • Monoisotopic mass361.027313 Da
  • ChemSpider ID48316891

More details:

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

2,4(1H,3H)-Pyrimidinedione, 3-[[4-(bromomethyl)tetrahydro-2H-pyran-4-yl]methyl]-1-methyl-5-nitro- [ACD/Index Name]
3-{[4-(Brommethyl)tetrahydro-2H-pyran-4-yl]methyl}-1-methyl-5-nitro-2,4(1H,3H)-pyrimidindion [German] [ACD/IUPAC Name]
3-{[4-(Bromomethyl)tetrahydro-2H-pyran-4-yl]methyl}-1-methyl-5-nitro-2,4(1H,3H)-pyrimidinedione [ACD/IUPAC Name]
3-{[4-(Bromométhyl)tétrahydro-2H-pyran-4-yl]méthyl}-1-méthyl-5-nitro-2,4(1H,3H)-pyrimidinedione [French] [ACD/IUPAC Name]

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

Density: 1.6±0.1 g/cm3
Boiling Point: 446.4±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.1 mmHg at 25°C
Enthalpy of Vaporization: 70.5±3.0 kJ/mol
Flash Point: 223.8±31.5 °C
Index of Refraction: 1.609
Molar Refractivity: 76.7±0.4 cm3
#H bond acceptors: 8
#H bond donors: 0
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 1.18
ACD/LogD (pH 5.5): 1.47
ACD/BCF (pH 5.5): 7.68
ACD/KOC (pH 5.5): 149.74
ACD/LogD (pH 7.4): 1.47
ACD/BCF (pH 7.4): 7.68
ACD/KOC (pH 7.4): 149.74
Polar Surface Area: 96 Å2
Polarizability: 30.4±0.5 10-24cm3
Surface Tension: 64.1±5.0 dyne/cm
Molar Volume: 221.5±5.0 cm3

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