ChemSpider 2D Image | 1-[(5-Bromo-2-furyl)methyl]-3-[6-(methoxymethyl)-4-pyrimidinyl]urea | C12H13BrN4O3

1-[(5-Bromo-2-furyl)methyl]-3-[6-(methoxymethyl)-4-pyrimidinyl]urea

  • Molecular FormulaC12H13BrN4O3
  • Average mass341.161 Da
  • Monoisotopic mass340.017090 Da
  • ChemSpider ID35187636

More details:

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

1-[(5-Brom-2-furyl)methyl]-3-[6-(methoxymethyl)-4-pyrimidinyl]harnstoff [German] [ACD/IUPAC Name]
1-[(5-Bromo-2-furyl)methyl]-3-[6-(methoxymethyl)-4-pyrimidinyl]urea [ACD/IUPAC Name]
1-[(5-Bromo-2-furyl)méthyl]-3-[6-(méthoxyméthyl)-4-pyrimidinyl]urée [French] [ACD/IUPAC Name]
Urea, N-[(5-bromo-2-furanyl)methyl]-N'-[6-(methoxymethyl)-4-pyrimidinyl]- [ACD/Index 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: 449.5±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.1 mmHg at 25°C
Enthalpy of Vaporization: 70.8±3.0 kJ/mol
Flash Point: 225.7±28.7 °C
Index of Refraction: 1.620
Molar Refractivity: 76.1±0.3 cm3
#H bond acceptors: 7
#H bond donors: 2
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 1.67
ACD/LogD (pH 5.5): 2.12
ACD/BCF (pH 5.5): 24.05
ACD/KOC (pH 5.5): 338.23
ACD/LogD (pH 7.4): 2.12
ACD/BCF (pH 7.4): 24.18
ACD/KOC (pH 7.4): 340.18
Polar Surface Area: 89 Å2
Polarizability: 30.2±0.5 10-24cm3
Surface Tension: 58.9±3.0 dyne/cm
Molar Volume: 216.6±3.0 cm3

Click to predict properties on the Chemicalize site


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