ChemSpider 2D Image | 3-[(5-Bromo-2-chloro-4-pyrimidinyl)oxy]-5-methoxybenzonitrile | C12H7BrClN3O2

3-[(5-Bromo-2-chloro-4-pyrimidinyl)oxy]-5-methoxybenzonitrile

  • Molecular FormulaC12H7BrClN3O2
  • Average mass340.560 Da
  • Monoisotopic mass338.941010 Da
  • ChemSpider ID47905747

More details:

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

3-[(5-Brom-2-chlor-4-pyrimidinyl)oxy]-5-methoxybenzonitril [German] [ACD/IUPAC Name]
3-[(5-Bromo-2-chloro-4-pyrimidinyl)oxy]-5-methoxybenzonitrile [ACD/IUPAC Name]
3-[(5-Bromo-2-chloro-4-pyrimidinyl)oxy]-5-méthoxybenzonitrile [French] [ACD/IUPAC Name]
Benzonitrile, 3-[(5-bromo-2-chloro-4-pyrimidinyl)oxy]-5-methoxy- [ACD/Index Name]

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

Density: 1.7±0.1 g/cm3
Boiling Point: 459.6±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.1 mmHg at 25°C
Enthalpy of Vaporization: 72.0±3.0 kJ/mol
Flash Point: 231.8±28.7 °C
Index of Refraction: 1.650
Molar Refractivity: 72.3±0.4 cm3
#H bond acceptors: 5
#H bond donors: 0
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 3.12
ACD/LogD (pH 5.5): 3.09
ACD/BCF (pH 5.5): 131.39
ACD/KOC (pH 5.5): 1143.09
ACD/LogD (pH 7.4): 3.09
ACD/BCF (pH 7.4): 131.39
ACD/KOC (pH 7.4): 1143.09
Polar Surface Area: 68 Å2
Polarizability: 28.7±0.5 10-24cm3
Surface Tension: 74.9±5.0 dyne/cm
Molar Volume: 198.3±5.0 cm3

Click to predict properties on the Chemicalize site


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