ChemSpider 2D Image | 3-[(4-Chloro-3-nitro-1H-pyrazol-1-yl)methyl]-5-fluorobenzonitrile | C11H6ClFN4O2

3-[(4-Chloro-3-nitro-1H-pyrazol-1-yl)methyl]-5-fluorobenzonitrile

  • Molecular FormulaC11H6ClFN4O2
  • Average mass280.642 Da
  • Monoisotopic mass280.016327 Da
  • ChemSpider ID72095157

More details:

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

3-[(4-Chlor-3-nitro-1H-pyrazol-1-yl)methyl]-5-fluorbenzonitril [German] [ACD/IUPAC Name]
3-[(4-Chloro-3-nitro-1H-pyrazol-1-yl)methyl]-5-fluorobenzonitrile [ACD/IUPAC Name]
3-[(4-Chloro-3-nitro-1H-pyrazol-1-yl)méthyl]-5-fluorobenzonitrile [French] [ACD/IUPAC Name]
Benzonitrile, 3-[(4-chloro-3-nitro-1H-pyrazol-1-yl)methyl]-5-fluoro- [ACD/Index Name]

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

Density: 1.5±0.1 g/cm3
Boiling Point: 468.5±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 73.1±3.0 kJ/mol
Flash Point: 237.2±28.7 °C
Index of Refraction: 1.657
Molar Refractivity: 67.2±0.5 cm3
#H bond acceptors: 6
#H bond donors: 0
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 1.67
ACD/LogD (pH 5.5): 2.30
ACD/BCF (pH 5.5): 33.13
ACD/KOC (pH 5.5): 426.38
ACD/LogD (pH 7.4): 2.30
ACD/BCF (pH 7.4): 33.13
ACD/KOC (pH 7.4): 426.38
Polar Surface Area: 87 Å2
Polarizability: 26.6±0.5 10-24cm3
Surface Tension: 58.5±7.0 dyne/cm
Molar Volume: 182.6±7.0 cm3

Click to predict properties on the Chemicalize site


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