ChemSpider 2D Image | 2-Chloro-4-[4-(4-fluorophenyl)-3,5-dimethyl-1H-pyrazol-1-yl]benzonitrile | C18H13ClFN3

2-Chloro-4-[4-(4-fluorophenyl)-3,5-dimethyl-1H-pyrazol-1-yl]benzonitrile

  • Molecular FormulaC18H13ClFN3
  • Average mass325.767 Da
  • Monoisotopic mass325.078217 Da
  • ChemSpider ID28496881

More details:

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

2-Chlor-4-[4-(4-fluorphenyl)-3,5-dimethyl-1H-pyrazol-1-yl]benzonitril [German] [ACD/IUPAC Name]
2-Chloro-4-[4-(4-fluorophenyl)-3,5-dimethyl-1H-pyrazol-1-yl]benzonitrile [ACD/IUPAC Name]
2-Chloro-4-[4-(4-fluorophényl)-3,5-diméthyl-1H-pyrazol-1-yl]benzonitrile [French] [ACD/IUPAC Name]
Benzonitrile, 2-chloro-4-[4-(4-fluorophenyl)-3,5-dimethyl-1H-pyrazol-1-yl]- [ACD/Index Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 459.9±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.1 mmHg at 25°C
Enthalpy of Vaporization: 72.1±3.0 kJ/mol
Flash Point: 232.0±28.7 °C
Index of Refraction: 1.617
Molar Refractivity: 90.9±0.5 cm3
#H bond acceptors: 3
#H bond donors: 0
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 4.93
ACD/LogD (pH 5.5): 5.19
ACD/BCF (pH 5.5): 5192.02
ACD/KOC (pH 5.5): 15886.56
ACD/LogD (pH 7.4): 5.19
ACD/BCF (pH 7.4): 5192.05
ACD/KOC (pH 7.4): 15886.64
Polar Surface Area: 42 Å2
Polarizability: 36.0±0.5 10-24cm3
Surface Tension: 41.8±7.0 dyne/cm
Molar Volume: 259.6±7.0 cm3

Click to predict properties on the Chemicalize site


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