ChemSpider 2D Image | 4(1H)-(2-~2~H)Quinazolinone | C8H5DN2O

4(1H)-(2-2H)Quinazolinone

  • Molecular FormulaC8H5DN2O
  • Average mass147.152 Da
  • Monoisotopic mass147.054291 Da
  • ChemSpider ID9461535

  • Non-standard isotope - Non-standard isotope

More details:

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

4(1H)-(2-2H)Chinazolinon [German] [ACD/IUPAC Name]
4(1H)-(2-2H)Quinazolinone [ACD/IUPAC Name]
4(1H)-(2-2H)Quinazolinone [French] [ACD/IUPAC Name]
4(1H)-Quinazolinone-2-d [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: 303.5±25.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 54.4±3.0 kJ/mol
Flash Point: 137.3±23.2 °C
Index of Refraction: 1.667
Molar Refractivity: 41.3±0.5 cm3
#H bond acceptors: 3
#H bond donors: 1
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 0
ACD/LogP: 0.77
ACD/LogD (pH 5.5): 1.11
ACD/BCF (pH 5.5): 4.13
ACD/KOC (pH 5.5): 96.07
ACD/LogD (pH 7.4): 1.11
ACD/BCF (pH 7.4): 4.14
ACD/KOC (pH 7.4): 96.22
Polar Surface Area: 41 Å2
Polarizability: 16.4±0.5 10-24cm3
Surface Tension: 52.7±7.0 dyne/cm
Molar Volume: 110.9±7.0 cm3

Click to predict properties on the Chemicalize site


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