ChemSpider 2D Image | (1,3-Dichloro-6-isoquinolinyl)acetonitrile | C11H6Cl2N2

(1,3-Dichloro-6-isoquinolinyl)acetonitrile

  • Molecular FormulaC11H6Cl2N2
  • Average mass237.085 Da
  • Monoisotopic mass235.990799 Da
  • ChemSpider ID26471310

More details:

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

(1,3-Dichlor-6-isochinolinyl)acetonitril [German] [ACD/IUPAC Name]
(1,3-Dichloro-6-isoquinoléinyl)acétonitrile [French] [ACD/IUPAC Name]
(1,3-Dichloro-6-isoquinolinyl)acetonitrile [ACD/IUPAC Name]
6-Isoquinolineacetonitrile, 1,3-dichloro- [ACD/Index Name]
1,3-DICHLORO-6-ISOQUINOLINEACETONITRILE
1000512-90-2 [RN]
MFCD09923838

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

Density: 1.4±0.1 g/cm3
Boiling Point: 433.4±40.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.0 mmHg at 25°C
Enthalpy of Vaporization: 68.9±3.0 kJ/mol
Flash Point: 215.9±27.3 °C
Index of Refraction: 1.658
Molar Refractivity: 61.4±0.3 cm3
#H bond acceptors: 2
#H bond donors: 0
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 2.54
ACD/LogD (pH 5.5): 2.81
ACD/BCF (pH 5.5): 80.90
ACD/KOC (pH 5.5): 807.81
ACD/LogD (pH 7.4): 2.81
ACD/BCF (pH 7.4): 80.90
ACD/KOC (pH 7.4): 807.81
Polar Surface Area: 37 Å2
Polarizability: 24.4±0.5 10-24cm3
Surface Tension: 58.7±3.0 dyne/cm
Molar Volume: 166.9±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement