ChemSpider 2D Image | 3-{[3-(Bromomethyl)-3-oxetanyl]methoxy}propanenitrile | C8H12BrNO2

3-{[3-(Bromomethyl)-3-oxetanyl]methoxy}propanenitrile

  • Molecular FormulaC8H12BrNO2
  • Average mass234.090 Da
  • Monoisotopic mass233.005127 Da
  • ChemSpider ID28561447

More details:

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

3-{[3-(Brommethyl)-3-oxetanyl]methoxy}propannitril [German] [ACD/IUPAC Name]
3-{[3-(Bromomethyl)-3-oxetanyl]methoxy}propanenitrile [ACD/IUPAC Name]
3-{[3-(Bromométhyl)-3-oxétanyl]méthoxy}propanenitrile [French] [ACD/IUPAC Name]
Propanenitrile, 3-[[3-(bromomethyl)-3-oxetanyl]methoxy]- [ACD/Index Name]
497096-64-7 [RN]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 348.2±22.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.8 mmHg at 25°C
Enthalpy of Vaporization: 59.3±3.0 kJ/mol
Flash Point: 164.4±22.3 °C
Index of Refraction: 1.494
Molar Refractivity: 48.0±0.3 cm3
#H bond acceptors: 3
#H bond donors: 0
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 0.15
ACD/LogD (pH 5.5): 0.93
ACD/BCF (pH 5.5): 2.98
ACD/KOC (pH 5.5): 75.99
ACD/LogD (pH 7.4): 0.93
ACD/BCF (pH 7.4): 2.98
ACD/KOC (pH 7.4): 75.99
Polar Surface Area: 42 Å2
Polarizability: 19.0±0.5 10-24cm3
Surface Tension: 49.3±3.0 dyne/cm
Molar Volume: 165.0±3.0 cm3

Click to predict properties on the Chemicalize site


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