ChemSpider 2D Image | methyl 5-chloro-1-(4-methylbenzenesulfonyl)-1H-1,2,4-triazole-3-carboxylate | C11H10ClN3O4S

methyl 5-chloro-1-(4-methylbenzenesulfonyl)-1H-1,2,4-triazole-3-carboxylate

  • Molecular FormulaC11H10ClN3O4S
  • Average mass315.733 Da
  • Monoisotopic mass315.008057 Da
  • ChemSpider ID58543340

More details:

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

1H-1,2,4-Triazole-3-carboxylic acid, 5-chloro-1-[(4-methylphenyl)sulfonyl]-, methyl ester [ACD/Index Name]
2096986-33-1 [RN]
5-Chloro-1-[(4-méthylphényl)sulfonyl]-1H-1,2,4-triazole-3-carboxylate de méthyle [French] [ACD/IUPAC Name]
methyl 5-chloro-1-(4-methylbenzenesulfonyl)-1H-1,2,4-triazole-3-carboxylate
Methyl 5-chloro-1-[(4-methylphenyl)sulfonyl]-1H-1,2,4-triazole-3-carboxylate [ACD/IUPAC Name]
Methyl-5-chlor-1-[(4-methylphenyl)sulfonyl]-1H-1,2,4-triazol-3-carboxylat [German] [ACD/IUPAC Name]
MFCD30472183

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

    Density: 1.5±0.1 g/cm3
    Boiling Point: 510.3±43.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.3 mmHg at 25°C
    Enthalpy of Vaporization: 78.1±3.0 kJ/mol
    Flash Point: 262.4±28.2 °C
    Index of Refraction: 1.648
    Molar Refractivity: 74.4±0.5 cm3
    #H bond acceptors: 7
    #H bond donors: 0
    #Freely Rotating Bonds: 4
    #Rule of 5 Violations: 0
    ACD/LogP: 2.33
    ACD/LogD (pH 5.5): 2.40
    ACD/BCF (pH 5.5): 39.13
    ACD/KOC (pH 5.5): 480.35
    ACD/LogD (pH 7.4): 2.40
    ACD/BCF (pH 7.4): 39.13
    ACD/KOC (pH 7.4): 480.35
    Polar Surface Area: 100 Å2
    Polarizability: 29.5±0.5 10-24cm3
    Surface Tension: 57.3±7.0 dyne/cm
    Molar Volume: 204.6±7.0 cm3

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