ChemSpider 2D Image | 4-[2-(4-Chloro-1H-pyrazol-1-yl)ethyl]-1,3,4-oxathiazinane 3,3-dioxide | C8H12ClN3O3S

4-[2-(4-Chloro-1H-pyrazol-1-yl)ethyl]-1,3,4-oxathiazinane 3,3-dioxide

  • Molecular FormulaC8H12ClN3O3S
  • Average mass265.717 Da
  • Monoisotopic mass265.028778 Da
  • ChemSpider ID29687809

More details:

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

3,3-Dioxyde de 4-[2-(4-chloro-1H-pyrazol-1-yl)éthyl]-1,3,4-oxathiazinane [French] [ACD/IUPAC Name]
4-[2-(4-Chlor-1H-pyrazol-1-yl)ethyl]-1,3,4-oxathiazinan-3,3-dioxid [German] [ACD/IUPAC Name]
4-[2-(4-Chloro-1H-pyrazol-1-yl)ethyl]-1,3,4-oxathiazinane 3,3-dioxide [ACD/IUPAC Name]
4H-1,3,4-Oxathiazine, 4-[2-(4-chloro-1H-pyrazol-1-yl)ethyl]dihydro-, 3,3-dioxide [ACD/Index Name]

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

Density: 1.6±0.1 g/cm3
Boiling Point: 450.2±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.1 mmHg at 25°C
Enthalpy of Vaporization: 70.9±3.0 kJ/mol
Flash Point: 226.1±31.5 °C
Index of Refraction: 1.652
Molar Refractivity: 61.0±0.5 cm3
#H bond acceptors: 6
#H bond donors: 0
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 0.13
ACD/LogD (pH 5.5): 0.43
ACD/BCF (pH 5.5): 1.25
ACD/KOC (pH 5.5): 40.93
ACD/LogD (pH 7.4): 0.43
ACD/BCF (pH 7.4): 1.25
ACD/KOC (pH 7.4): 40.93
Polar Surface Area: 73 Å2
Polarizability: 24.2±0.5 10-24cm3
Surface Tension: 63.4±7.0 dyne/cm
Molar Volume: 166.8±7.0 cm3

Click to predict properties on the Chemicalize site


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