ChemSpider 2D Image | 1-Allyl-3-(4-bromo-2-fluorobenzyl)urea | C11H12BrFN2O

1-Allyl-3-(4-bromo-2-fluorobenzyl)urea

  • Molecular FormulaC11H12BrFN2O
  • Average mass287.128 Da
  • Monoisotopic mass286.011688 Da
  • ChemSpider ID30178617

More details:

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

1-Allyl-3-(4-brom-2-fluorbenzyl)harnstoff [German] [ACD/IUPAC Name]
1-Allyl-3-(4-bromo-2-fluorobenzyl)urea [ACD/IUPAC Name]
1-Allyl-3-(4-bromo-2-fluorobenzyl)urée [French] [ACD/IUPAC Name]
Urea, N-[(4-bromo-2-fluorophenyl)methyl]-N'-2-propen-1-yl- [ACD/Index Name]
1-[(4-BROMO-2-FLUOROPHENYL)METHYL]-3-(PROP-2-EN-1-YL)UREA

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

Density: 1.4±0.1 g/cm3
Boiling Point: 438.0±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.1 mmHg at 25°C
Enthalpy of Vaporization: 69.5±3.0 kJ/mol
Flash Point: 218.7±28.7 °C
Index of Refraction: 1.550
Molar Refractivity: 64.3±0.3 cm3
#H bond acceptors: 3
#H bond donors: 2
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 2.44
ACD/LogD (pH 5.5): 2.50
ACD/BCF (pH 5.5): 47.08
ACD/KOC (pH 5.5): 548.31
ACD/LogD (pH 7.4): 2.50
ACD/BCF (pH 7.4): 47.08
ACD/KOC (pH 7.4): 548.30
Polar Surface Area: 41 Å2
Polarizability: 25.5±0.5 10-24cm3
Surface Tension: 40.9±3.0 dyne/cm
Molar Volume: 202.0±3.0 cm3

Click to predict properties on the Chemicalize site


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