ChemSpider 2D Image | 3-benzoyl-4,5-dihydroisoxazole-5-carbonitrile | C11H8N2O2

3-benzoyl-4,5-dihydroisoxazole-5-carbonitrile

  • Molecular FormulaC11H8N2O2
  • Average mass200.193 Da
  • Monoisotopic mass200.058578 Da
  • ChemSpider ID20057425

More details:

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

3-Benzoyl-4,5-dihydro-1,2-oxazol-5-carbonitril [German] [ACD/IUPAC Name]
3-Benzoyl-4,5-dihydro-1,2-oxazole-5-carbonitrile [ACD/IUPAC Name]
3-Benzoyl-4,5-dihydro-1,2-oxazole-5-carbonitrile [French] [ACD/IUPAC Name]
3-benzoyl-4,5-dihydroisoxazole-5-carbonitrile
5-Isoxazolecarbonitrile, 3-benzoyl-4,5-dihydro- [ACD/Index Name]
31879-21-7 [RN]
MFCD22058822

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

Density: 1.3±0.1 g/cm3
Boiling Point: 378.8±52.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.9 mmHg at 25°C
Enthalpy of Vaporization: 62.7±3.0 kJ/mol
Flash Point: 182.9±30.7 °C
Index of Refraction: 1.618
Molar Refractivity: 55.3±0.5 cm3
#H bond acceptors: 4
#H bond donors: 0
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: -0.11
ACD/LogD (pH 5.5): 1.02
ACD/BCF (pH 5.5): 3.51
ACD/KOC (pH 5.5): 85.53
ACD/LogD (pH 7.4): 1.02
ACD/BCF (pH 7.4): 3.51
ACD/KOC (pH 7.4): 85.53
Polar Surface Area: 62 Å2
Polarizability: 21.9±0.5 10-24cm3
Surface Tension: 50.6±7.0 dyne/cm
Molar Volume: 157.9±7.0 cm3

Click to predict properties on the Chemicalize site


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