ChemSpider 2D Image | 4-Chloro-6-(3-ethoxy-4,5-difluorophenyl)-2-thioxo-1,2-dihydro-5-pyrimidinecarbonitrile | C13H8ClF2N3OS

4-Chloro-6-(3-ethoxy-4,5-difluorophenyl)-2-thioxo-1,2-dihydro-5-pyrimidinecarbonitrile

  • Molecular FormulaC13H8ClF2N3OS
  • Average mass327.737 Da
  • Monoisotopic mass327.004456 Da
  • ChemSpider ID102572930

More details:

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

4-Chlor-6-(3-ethoxy-4,5-difluorphenyl)-2-thioxo-1,2-dihydro-5-pyrimidincarbonitril [German] [ACD/IUPAC Name]
4-Chloro-6-(3-ethoxy-4,5-difluorophenyl)-2-thioxo-1,2-dihydro-5-pyrimidinecarbonitrile [ACD/IUPAC Name]
4-Chloro-6-(3-éthoxy-4,5-difluorophényl)-2-thioxo-1,2-dihydro-5-pyrimidinecarbonitrile [French] [ACD/IUPAC Name]
5-Pyrimidinecarbonitrile, 4-chloro-6-(3-ethoxy-4,5-difluorophenyl)-1,2-dihydro-2-thioxo- [ACD/Index Name]

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

Density: 1.5±0.1 g/cm3
Boiling Point: 420.3±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.0 mmHg at 25°C
Enthalpy of Vaporization: 67.4±3.0 kJ/mol
Flash Point: 208.0±31.5 °C
Index of Refraction: 1.628
Molar Refractivity: 78.3±0.5 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 2.53
ACD/LogD (pH 5.5): 1.04
ACD/BCF (pH 5.5): 1.20
ACD/KOC (pH 5.5): 10.72
ACD/LogD (pH 7.4): 1.04
ACD/BCF (pH 7.4): 1.20
ACD/KOC (pH 7.4): 10.70
Polar Surface Area: 90 Å2
Polarizability: 31.0±0.5 10-24cm3
Surface Tension: 42.5±7.0 dyne/cm
Molar Volume: 220.5±7.0 cm3

Click to predict properties on the Chemicalize site


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