ChemSpider 2D Image | 4-Bromo-1-(2-fluoroethyl)-1H-pyrazole-5-carbaldehyde | C6H6BrFN2O

4-Bromo-1-(2-fluoroethyl)-1H-pyrazole-5-carbaldehyde

  • Molecular FormulaC6H6BrFN2O
  • Average mass221.027 Da
  • Monoisotopic mass219.964752 Da
  • ChemSpider ID64831864

More details:

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

1H-Pyrazole-5-carboxaldehyde, 4-bromo-1-(2-fluoroethyl)- [ACD/Index Name]
4-Brom-1-(2-fluorethyl)-1H-pyrazol-5-carbaldehyd [German] [ACD/IUPAC Name]
4-Bromo-1-(2-fluoroethyl)-1H-pyrazole-5-carbaldehyde [ACD/IUPAC Name]
4-Bromo-1-(2-fluoroéthyl)-1H-pyrazole-5-carbaldéhyde [French] [ACD/IUPAC Name]
2101199-62-4 [RN]
MFCD31418164

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

Density: 1.7±0.1 g/cm3
Boiling Point: 308.4±32.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.7 mmHg at 25°C
Enthalpy of Vaporization: 54.9±3.0 kJ/mol
Flash Point: 140.3±25.1 °C
Index of Refraction: 1.581
Molar Refractivity: 42.9±0.5 cm3
#H bond acceptors: 3
#H bond donors: 0
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 0.89
ACD/LogD (pH 5.5): 1.21
ACD/BCF (pH 5.5): 4.88
ACD/KOC (pH 5.5): 108.18
ACD/LogD (pH 7.4): 1.21
ACD/BCF (pH 7.4): 4.88
ACD/KOC (pH 7.4): 108.18
Polar Surface Area: 35 Å2
Polarizability: 17.0±0.5 10-24cm3
Surface Tension: 45.5±7.0 dyne/cm
Molar Volume: 128.8±7.0 cm3

Click to predict properties on the Chemicalize site


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