ChemSpider 2D Image | 3-(5-Chloro-2-iodophenyl)-3-oxopropanenitrile | C9H5ClINO

3-(5-Chloro-2-iodophenyl)-3-oxopropanenitrile

  • Molecular FormulaC9H5ClINO
  • Average mass305.500 Da
  • Monoisotopic mass304.910431 Da
  • ChemSpider ID56325487

More details:

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

3-(5-Chlor-2-iodphenyl)-3-oxopropannitril [German] [ACD/IUPAC Name]
3-(5-Chloro-2-iodophenyl)-3-oxopropanenitrile [ACD/IUPAC Name]
3-(5-Chloro-2-iodophényl)-3-oxopropanenitrile [French] [ACD/IUPAC Name]
Benzenepropanenitrile, 5-chloro-2-iodo-β-oxo- [ACD/Index Name]
1694372-21-8 [RN]

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

Density: 1.9±0.1 g/cm3
Boiling Point: 414.0±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.0 mmHg at 25°C
Enthalpy of Vaporization: 66.7±3.0 kJ/mol
Flash Point: 204.2±28.7 °C
Index of Refraction: 1.630
Molar Refractivity: 58.6±0.3 cm3
#H bond acceptors: 2
#H bond donors: 0
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 2.35
ACD/LogD (pH 5.5): 2.78
ACD/BCF (pH 5.5): 71.12
ACD/KOC (pH 5.5): 679.15
ACD/LogD (pH 7.4): 1.50
ACD/BCF (pH 7.4): 3.74
ACD/KOC (pH 7.4): 35.73
Polar Surface Area: 41 Å2
Polarizability: 23.2±0.5 10-24cm3
Surface Tension: 56.5±3.0 dyne/cm
Molar Volume: 164.9±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement