ChemSpider 2D Image | 1-{2-[(4-Chlorophenyl)sulfonyl]ethyl}-1H-1,2,4-triazole-3-carbonitrile | C11H9ClN4O2S

1-{2-[(4-Chlorophenyl)sulfonyl]ethyl}-1H-1,2,4-triazole-3-carbonitrile

  • Molecular FormulaC11H9ClN4O2S
  • Average mass296.733 Da
  • Monoisotopic mass296.013458 Da
  • ChemSpider ID30626583

More details:

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

1-{2-[(4-Chlorophenyl)sulfonyl]ethyl}-1H-1,2,4-triazole-3-carbonitrile [ACD/IUPAC Name]
1-{2-[(4-Chlorophényl)sulfonyl]éthyl}-1H-1,2,4-triazole-3-carbonitrile [French] [ACD/IUPAC Name]
1-{2-[(4-Chlorphenyl)sulfonyl]ethyl}-1H-1,2,4-triazol-3-carbonitril [German] [ACD/IUPAC Name]
1H-1,2,4-Triazole-3-carbonitrile, 1-[2-[(4-chlorophenyl)sulfonyl]ethyl]- [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: 559.0±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 84.1±3.0 kJ/mol
Flash Point: 291.9±32.9 °C
Index of Refraction: 1.670
Molar Refractivity: 74.5±0.5 cm3
#H bond acceptors: 6
#H bond donors: 0
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 0.61
ACD/LogD (pH 5.5): 0.69
ACD/BCF (pH 5.5): 1.95
ACD/KOC (pH 5.5): 56.16
ACD/LogD (pH 7.4): 0.69
ACD/BCF (pH 7.4): 1.95
ACD/KOC (pH 7.4): 56.16
Polar Surface Area: 97 Å2
Polarizability: 29.5±0.5 10-24cm3
Surface Tension: 62.4±7.0 dyne/cm
Molar Volume: 199.3±7.0 cm3

Click to predict properties on the Chemicalize site


Advertisement