ChemSpider 2D Image | 1-(2-Bromo-4-methyl-5-nitrophenyl)-3-[(2S)-1-hydroxy-2-propanyl]urea | C11H14BrN3O4

1-(2-Bromo-4-methyl-5-nitrophenyl)-3-[(2S)-1-hydroxy-2-propanyl]urea

  • Molecular FormulaC11H14BrN3O4
  • Average mass332.151 Da
  • Monoisotopic mass331.016754 Da
  • ChemSpider ID30429924

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

1-(2-Brom-4-methyl-5-nitrophenyl)-3-[(2S)-1-hydroxy-2-propanyl]harnstoff [German] [ACD/IUPAC Name]
1-(2-Bromo-4-methyl-5-nitrophenyl)-3-[(2S)-1-hydroxy-2-propanyl]urea [ACD/IUPAC Name]
1-(2-Bromo-4-méthyl-5-nitrophényl)-3-[(2S)-1-hydroxy-2-propanyl]urée [French] [ACD/IUPAC Name]
Urea, N-(2-bromo-4-methyl-5-nitrophenyl)-N'-[(1S)-2-hydroxy-1-methylethyl]- [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: 428.7±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.1 mmHg at 25°C
Enthalpy of Vaporization: 72.1±3.0 kJ/mol
Flash Point: 213.1±28.7 °C
Index of Refraction: 1.635
Molar Refractivity: 73.9±0.3 cm3
#H bond acceptors: 7
#H bond donors: 3
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 2.34
ACD/LogD (pH 5.5): 2.19
ACD/BCF (pH 5.5): 27.36
ACD/KOC (pH 5.5): 371.82
ACD/LogD (pH 7.4): 2.19
ACD/BCF (pH 7.4): 27.35
ACD/KOC (pH 7.4): 371.72
Polar Surface Area: 107 Å2
Polarizability: 29.3±0.5 10-24cm3
Surface Tension: 60.6±3.0 dyne/cm
Molar Volume: 206.5±3.0 cm3

Click to predict properties on the Chemicalize site


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