ChemSpider 2D Image | 4-(6-Iodo-4-oxo-3(4H)-quinazolinyl)butanenitrile | C12H10IN3O

4-(6-Iodo-4-oxo-3(4H)-quinazolinyl)butanenitrile

  • Molecular FormulaC12H10IN3O
  • Average mass339.132 Da
  • Monoisotopic mass338.986847 Da
  • ChemSpider ID29806420

More details:

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

3(4H)-Quinazolinebutanenitrile, 6-iodo-4-oxo- [ACD/Index Name]
4-(6-Iod-4-oxo-3(4H)-chinazolinyl)butannitril [German] [ACD/IUPAC Name]
4-(6-Iodo-4-oxo-3(4H)-quinazolinyl)butanenitrile [ACD/IUPAC Name]
4-(6-Iodo-4-oxo-3(4H)-quinazolinyl)butanenitrile [French] [ACD/IUPAC Name]
4-(6-IODO-4-OXOQUINAZOLIN-3-YL)BUTANENITRILE

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

Density: 1.7±0.1 g/cm3
Boiling Point: 511.9±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 78.3±3.0 kJ/mol
Flash Point: 263.4±32.9 °C
Index of Refraction: 1.693
Molar Refractivity: 75.2±0.5 cm3
#H bond acceptors: 4
#H bond donors: 0
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 1.58
ACD/LogD (pH 5.5): 1.60
ACD/BCF (pH 5.5): 9.70
ACD/KOC (pH 5.5): 176.95
ACD/LogD (pH 7.4): 1.60
ACD/BCF (pH 7.4): 9.70
ACD/KOC (pH 7.4): 176.95
Polar Surface Area: 56 Å2
Polarizability: 29.8±0.5 10-24cm3
Surface Tension: 56.6±7.0 dyne/cm
Molar Volume: 196.0±7.0 cm3

Click to predict properties on the Chemicalize site


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