ChemSpider 2D Image | 1-(4-Bromo-3-nitrophenyl)-3-(1-cyano-2-butanyl)urea | C12H13BrN4O3

1-(4-Bromo-3-nitrophenyl)-3-(1-cyano-2-butanyl)urea

  • Molecular FormulaC12H13BrN4O3
  • Average mass341.161 Da
  • Monoisotopic mass340.017090 Da
  • ChemSpider ID35180193

More details:

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

1-(4-Brom-3-nitrophenyl)-3-(1-cyan-2-butanyl)harnstoff [German] [ACD/IUPAC Name]
1-(4-Bromo-3-nitrophenyl)-3-(1-cyano-2-butanyl)urea [ACD/IUPAC Name]
1-(4-Bromo-3-nitrophényl)-3-(1-cyano-2-butanyl)urée [French] [ACD/IUPAC Name]
Urea, N-(4-bromo-3-nitrophenyl)-N'-[1-(cyanomethyl)propyl]- [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: 441.2±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.1 mmHg at 25°C
Enthalpy of Vaporization: 69.8±3.0 kJ/mol
Flash Point: 220.6±28.7 °C
Index of Refraction: 1.618
Molar Refractivity: 76.8±0.3 cm3
#H bond acceptors: 7
#H bond donors: 2
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 2.98
ACD/LogD (pH 5.5): 2.61
ACD/BCF (pH 5.5): 56.90
ACD/KOC (pH 5.5): 627.93
ACD/LogD (pH 7.4): 2.61
ACD/BCF (pH 7.4): 56.89
ACD/KOC (pH 7.4): 627.87
Polar Surface Area: 111 Å2
Polarizability: 30.4±0.5 10-24cm3
Surface Tension: 59.9±3.0 dyne/cm
Molar Volume: 219.1±3.0 cm3

Click to predict properties on the Chemicalize site


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