ChemSpider 2D Image | 1-{3-[(2-Chlorobenzyl)sulfonyl]propyl}-1H-1,2,4-triazole | C12H14ClN3O2S

1-{3-[(2-Chlorobenzyl)sulfonyl]propyl}-1H-1,2,4-triazole

  • Molecular FormulaC12H14ClN3O2S
  • Average mass299.776 Da
  • Monoisotopic mass299.049530 Da
  • ChemSpider ID26089240

More details:

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

1-{3-[(2-Chlorbenzyl)sulfonyl]propyl}-1H-1,2,4-triazol [German] [ACD/IUPAC Name]
1-{3-[(2-Chlorobenzyl)sulfonyl]propyl}-1H-1,2,4-triazole [ACD/IUPAC Name]
1-{3-[(2-Chlorobenzyl)sulfonyl]propyl}-1H-1,2,4-triazole [French] [ACD/IUPAC Name]
1H-1,2,4-Triazole, 1-[3-[[(2-chlorophenyl)methyl]sulfonyl]propyl]- [ACD/Index Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 558.0±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 84.0±3.0 kJ/mol
Flash Point: 291.3±32.9 °C
Index of Refraction: 1.624
Molar Refractivity: 77.2±0.5 cm3
#H bond acceptors: 5
#H bond donors: 0
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 0.88
ACD/LogD (pH 5.5): 1.42
ACD/BCF (pH 5.5): 7.05
ACD/KOC (pH 5.5): 140.70
ACD/LogD (pH 7.4): 1.42
ACD/BCF (pH 7.4): 7.07
ACD/KOC (pH 7.4): 141.21
Polar Surface Area: 73 Å2
Polarizability: 30.6±0.5 10-24cm3
Surface Tension: 53.6±7.0 dyne/cm
Molar Volume: 218.6±7.0 cm3

Click to predict properties on the Chemicalize site


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