ChemSpider 2D Image | 3-PHENYL-5-(1H-PYRAZOL-3-YL)ISOXAZOLE | C12H9N3O

3-PHENYL-5-(1H-PYRAZOL-3-YL)ISOXAZOLE

  • Molecular FormulaC12H9N3O
  • Average mass211.219 Da
  • Monoisotopic mass211.074554 Da
  • ChemSpider ID21583936

More details:

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

3-Phenyl-5-(1H-pyrazol-3-yl)-1,2-oxazol [German] [ACD/IUPAC Name]
3-Phenyl-5-(1H-pyrazol-3-yl)-1,2-oxazole [ACD/IUPAC Name]
3-Phényl-5-(1H-pyrazol-3-yl)-1,2-oxazole [French] [ACD/IUPAC Name]
3-PHENYL-5-(1H-PYRAZOL-3-YL)ISOXAZOLE
Isoxazole, 3-phenyl-5-(1H-pyrazol-3-yl)- [ACD/Index Name]
264225-67-4 [RN]
3-(3-phenylisoxazol-5-yl)-1H-pyrazole
D25
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL265720/
Pyrazolylisoxazole, 14

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

Density: 1.3±0.1 g/cm3
Boiling Point: 482.8±30.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 71.9±3.0 kJ/mol
Flash Point: 263.3±18.5 °C
Index of Refraction: 1.613
Molar Refractivity: 58.4±0.3 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 2.57
ACD/LogD (pH 5.5): 2.46
ACD/BCF (pH 5.5): 43.94
ACD/KOC (pH 5.5): 521.90
ACD/LogD (pH 7.4): 2.46
ACD/BCF (pH 7.4): 43.94
ACD/KOC (pH 7.4): 521.87
Polar Surface Area: 55 Å2
Polarizability: 23.1±0.5 10-24cm3
Surface Tension: 54.8±3.0 dyne/cm
Molar Volume: 167.6±3.0 cm3

Click to predict properties on the Chemicalize site


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