ChemSpider 2D Image | 4-Chloro-2-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-3-oxobutanenitrile | C13H8Cl2N2OS


  • Molecular FormulaC13H8Cl2N2OS
  • Average mass311.186 Da
  • Monoisotopic mass309.973450 Da
  • ChemSpider ID21749849

More details:

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

2-Thiazoleacetonitrile, α-(2-chloroacetyl)-4-(4-chlorophenyl)- [ACD/Index Name]
4-Chlor-2-[4-(4-chlorphenyl)-1,3-thiazol-2-yl]-3-oxobutannitril [German] [ACD/IUPAC Name]
4-Chloro-2-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-3-oxobutanenitrile [ACD/IUPAC Name]
4-Chloro-2-[4-(4-chlorophényl)-1,3-thiazol-2-yl]-3-oxobutanenitrile [French] [ACD/IUPAC Name]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.4±0.1 g/cm3
Boiling Point: 442.2±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.1 mmHg at 25°C
Enthalpy of Vaporization: 70.0±3.0 kJ/mol
Flash Point: 221.2±28.7 °C
Index of Refraction: 1.613
Molar Refractivity: 75.8±0.3 cm3
#H bond acceptors: 3
#H bond donors: 0
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 4.78
ACD/LogD (pH 5.5):
ACD/BCF (pH 5.5):
ACD/KOC (pH 5.5):
ACD/LogD (pH 7.4):
ACD/BCF (pH 7.4):
ACD/KOC (pH 7.4):
Polar Surface Area: 82 Å2
Polarizability: 30.1±0.5 10-24cm3
Surface Tension: 57.7±3.0 dyne/cm
Molar Volume: 217.8±3.0 cm3

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