ChemSpider 2D Image | 3-Fluoro-2-nitro-5-(1H-pyrazol-5-ylethynyl)phenol | C11H6FN3O3

3-Fluoro-2-nitro-5-(1H-pyrazol-5-ylethynyl)phenol

  • Molecular FormulaC11H6FN3O3
  • Average mass247.182 Da
  • Monoisotopic mass247.039322 Da
  • ChemSpider ID97909033

More details:

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

3-Fluor-2-nitro-5-(1H-pyrazol-5-ylethinyl)phenol [German] [ACD/IUPAC Name]
3-Fluoro-2-nitro-5-(1H-pyrazol-5-ylethynyl)phenol [ACD/IUPAC Name]
3-Fluoro-2-nitro-5-(1H-pyrazol-5-yléthynyl)phénol [French] [ACD/IUPAC Name]
Phenol, 3-fluoro-2-nitro-5-[2-(1H-pyrazol-5-yl)ethynyl]- [ACD/Index Name]

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

Density: 1.6±0.1 g/cm3
Boiling Point: 511.6±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 81.2±3.0 kJ/mol
Flash Point: 263.2±30.1 °C
Index of Refraction: 1.687
Molar Refractivity: 58.1±0.4 cm3
#H bond acceptors: 6
#H bond donors: 2
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 2.51
ACD/LogD (pH 5.5): 0.01
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.56
ACD/LogD (pH 7.4): -0.51
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 95 Å2
Polarizability: 23.0±0.5 10-24cm3
Surface Tension: 91.2±5.0 dyne/cm
Molar Volume: 152.6±5.0 cm3

Click to predict properties on the Chemicalize site


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