ChemSpider 2D Image | 3-[2-(4-Iodophenyl)-1-pyrrolidinyl]-3-oxopropanenitrile | C13H13IN2O

3-[2-(4-Iodophenyl)-1-pyrrolidinyl]-3-oxopropanenitrile

  • Molecular FormulaC13H13IN2O
  • Average mass340.160 Da
  • Monoisotopic mass340.007263 Da
  • ChemSpider ID35181063

More details:

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

1-Pyrrolidinepropanenitrile, 2-(4-iodophenyl)-β-oxo- [ACD/Index Name]
3-[2-(4-Iodophenyl)-1-pyrrolidinyl]-3-oxopropanenitrile [ACD/IUPAC Name]
3-[2-(4-Iodophényl)-1-pyrrolidinyl]-3-oxopropanenitrile [French] [ACD/IUPAC Name]
3-[2-(4-Iodphenyl)-1-pyrrolidinyl]-3-oxopropannitril [German] [ACD/IUPAC Name]

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

Density: 1.6±0.1 g/cm3
Boiling Point: 474.2±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 73.8±3.0 kJ/mol
Flash Point: 240.6±28.7 °C
Index of Refraction: 1.624
Molar Refractivity: 73.1±0.3 cm3
#H bond acceptors: 3
#H bond donors: 0
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 2.30
ACD/LogD (pH 5.5): 1.41
ACD/BCF (pH 5.5): 3.82
ACD/KOC (pH 5.5): 44.74
ACD/LogD (pH 7.4): 0.12
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 2.30
Polar Surface Area: 44 Å2
Polarizability: 29.0±0.5 10-24cm3
Surface Tension: 56.3±3.0 dyne/cm
Molar Volume: 207.2±3.0 cm3

Click to predict properties on the Chemicalize site


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