ChemSpider 2D Image | 3-[3-Bromo-2-(methoxymethyl)phenyl]-1-(2-hydroxyethyl)-1-methylurea | C12H17BrN2O3

3-[3-Bromo-2-(methoxymethyl)phenyl]-1-(2-hydroxyethyl)-1-methylurea

  • Molecular FormulaC12H17BrN2O3
  • Average mass317.179 Da
  • Monoisotopic mass316.042236 Da
  • ChemSpider ID30230853

More details:

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

3-[3-Brom-2-(methoxymethyl)phenyl]-1-(2-hydroxyethyl)-1-methylharnstoff [German] [ACD/IUPAC Name]
3-[3-Bromo-2-(methoxymethyl)phenyl]-1-(2-hydroxyethyl)-1-methylurea [ACD/IUPAC Name]
3-[3-Bromo-2-(méthoxyméthyl)phényl]-1-(2-hydroxyéthyl)-1-méthylurée [French] [ACD/IUPAC Name]
Urea, N'-[3-bromo-2-(methoxymethyl)phenyl]-N-(2-hydroxyethyl)-N-methyl- [ACD/Index Name]
1-[3-BROMO-2-(METHOXYMETHYL)PHENYL]-3-(2-HYDROXYETHYL)-3-METHYLUREA

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

Density: 1.5±0.1 g/cm3
Boiling Point: 473.0±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 77.5±3.0 kJ/mol
Flash Point: 239.9±28.7 °C
Index of Refraction: 1.603
Molar Refractivity: 74.0±0.3 cm3
#H bond acceptors: 5
#H bond donors: 2
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 1.30
ACD/LogD (pH 5.5): 1.99
ACD/BCF (pH 5.5): 18.99
ACD/KOC (pH 5.5): 286.26
ACD/LogD (pH 7.4): 1.99
ACD/BCF (pH 7.4): 18.99
ACD/KOC (pH 7.4): 286.26
Polar Surface Area: 62 Å2
Polarizability: 29.3±0.5 10-24cm3
Surface Tension: 52.2±3.0 dyne/cm
Molar Volume: 215.7±3.0 cm3

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