ChemSpider 2D Image | 3-(2-Bromo-4-methyl-5-nitrophenyl)-1-(1-hydroxy-2-propanyl)-1-methylurea | C12H16BrN3O4

3-(2-Bromo-4-methyl-5-nitrophenyl)-1-(1-hydroxy-2-propanyl)-1-methylurea

  • Molecular FormulaC12H16BrN3O4
  • Average mass346.177 Da
  • Monoisotopic mass345.032410 Da
  • ChemSpider ID35173839

More details:

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

3-(2-Brom-4-methyl-5-nitrophenyl)-1-(1-hydroxy-2-propanyl)-1-methylharnstoff [German] [ACD/IUPAC Name]
3-(2-Bromo-4-methyl-5-nitrophenyl)-1-(1-hydroxy-2-propanyl)-1-methylurea [ACD/IUPAC Name]
3-(2-Bromo-4-méthyl-5-nitrophényl)-1-(1-hydroxy-2-propanyl)-1-méthylurée [French] [ACD/IUPAC Name]
Urea, N'-(2-bromo-4-methyl-5-nitrophenyl)-N-(2-hydroxy-1-methylethyl)-N-methyl- [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: 506.0±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 81.7±3.0 kJ/mol
Flash Point: 259.8±30.1 °C
Index of Refraction: 1.629
Molar Refractivity: 78.7±0.3 cm3
#H bond acceptors: 7
#H bond donors: 2
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 2.15
ACD/LogD (pH 5.5): 2.21
ACD/BCF (pH 5.5): 28.06
ACD/KOC (pH 5.5): 378.56
ACD/LogD (pH 7.4): 2.21
ACD/BCF (pH 7.4): 28.06
ACD/KOC (pH 7.4): 378.52
Polar Surface Area: 98 Å2
Polarizability: 31.2±0.5 10-24cm3
Surface Tension: 59.0±3.0 dyne/cm
Molar Volume: 221.5±3.0 cm3

Click to predict properties on the Chemicalize site


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