ChemSpider 2D Image | 2-ISOPROPYL-5-METHYLPYRAZOLE-3-SULFONYL CHLORIDE | C7H11ClN2O2S

2-ISOPROPYL-5-METHYLPYRAZOLE-3-SULFONYL CHLORIDE

  • Molecular FormulaC7H11ClN2O2S
  • Average mass222.692 Da
  • Monoisotopic mass222.022980 Da
  • ChemSpider ID26520605

More details:






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

1245823-44-2 [RN]
1H-Pyrazole-5-sulfonyl chloride, 3-methyl-1-(1-methylethyl)- [ACD/Index Name]
1-Isopropyl-3-methyl-1H-pyrazol-5-sulfonylchlorid [German] [ACD/IUPAC Name]
1-Isopropyl-3-methyl-1H-pyrazole-5-sulfonyl chloride [ACD/IUPAC Name]
2-ISOPROPYL-5-METHYLPYRAZOLE-3-SULFONYL CHLORIDE
3-Methyl-1-(1-methylethyl)-1H-pyrazole-5-sulfonyl chloride
3-methyl-1-(propan-2-yl)-1H-pyrazole-5-sulfonyl chloride
Chlorure de 1-isopropyl-3-méthyl-1H-pyrazole-5-sulfonyle [French] [ACD/IUPAC Name]
5-methyl-2-propan-2-ylpyrazole-3-sulfonyl chloride
AGN-PC-08VYDQ
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    Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

    Density: 1.4±0.1 g/cm3
    Boiling Point: 317.8±30.0 °C at 760 mmHg
    Vapour Pressure: 0.0±0.7 mmHg at 25°C
    Enthalpy of Vaporization: 53.7±3.0 kJ/mol
    Flash Point: 146.0±24.6 °C
    Index of Refraction: 1.581
    Molar Refractivity: 53.1±0.5 cm3
    #H bond acceptors: 4
    #H bond donors: 0
    #Freely Rotating Bonds: 2
    #Rule of 5 Violations: 0
    ACD/LogP: 1.08
    ACD/LogD (pH 5.5): 1.33
    ACD/BCF (pH 5.5): 6.07
    ACD/KOC (pH 5.5): 126.52
    ACD/LogD (pH 7.4): 1.33
    ACD/BCF (pH 7.4): 6.07
    ACD/KOC (pH 7.4): 126.52
    Polar Surface Area: 60 Å2
    Polarizability: 21.0±0.5 10-24cm3
    Surface Tension: 44.4±7.0 dyne/cm
    Molar Volume: 159.2±7.0 cm3

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