ChemSpider 2D Image | 8-(2-Chloro-3-pyridinyl)-8-oxooctanenitrile | C13H15ClN2O

8-(2-Chloro-3-pyridinyl)-8-oxooctanenitrile

  • Molecular FormulaC13H15ClN2O
  • Average mass250.724 Da
  • Monoisotopic mass250.087296 Da
  • ChemSpider ID21398057

More details:

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

3-Pyridineoctanenitrile, 2-chloro-η-oxo- [ACD/Index Name]
8-(2-Chlor-3-pyridinyl)-8-oxooctannitril [German] [ACD/IUPAC Name]
8-(2-Chloro-3-pyridinyl)-8-oxooctanenitrile [ACD/IUPAC Name]
8-(2-Chloro-3-pyridinyl)-8-oxooctanenitrile [French] [ACD/IUPAC Name]
890100-82-0 [RN]
8-(2-Chloro-3-pyridyl)-8-oxooctanenitrile
8-(2-chloropyridin-3-yl)-8-oxooctanenitrile
8-(2-CHLORO-PYRIDIN-3-YL)-8-OXOOCTANENITRILE
97%
MFCD02260499 [MDL number]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 422.7±35.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.0 mmHg at 25°C
Enthalpy of Vaporization: 67.7±3.0 kJ/mol
Flash Point: 209.5±25.9 °C
Index of Refraction: 1.525
Molar Refractivity: 67.0±0.3 cm3
#H bond acceptors: 3
#H bond donors: 0
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 0
ACD/LogP: 1.89
ACD/LogD (pH 5.5): 2.22
ACD/BCF (pH 5.5): 28.64
ACD/KOC (pH 5.5): 384.11
ACD/LogD (pH 7.4): 2.22
ACD/BCF (pH 7.4): 28.64
ACD/KOC (pH 7.4): 384.11
Polar Surface Area: 54 Å2
Polarizability: 26.6±0.5 10-24cm3
Surface Tension: 46.1±3.0 dyne/cm
Molar Volume: 218.6±3.0 cm3

Click to predict properties on the Chemicalize site


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