ChemSpider 2D Image | METHYL 1-(4-CHLOROPHENYL)-5-METHYL-1,2,3-TRIAZOLE-4-CARBOXYLATE | C11H10ClN3O2

METHYL 1-(4-CHLOROPHENYL)-5-METHYL-1,2,3-TRIAZOLE-4-CARBOXYLATE

  • Molecular FormulaC11H10ClN3O2
  • Average mass251.669 Da
  • Monoisotopic mass251.046158 Da
  • ChemSpider ID23379201

More details:

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

1-(4-Chlorophényl)-5-méthyl-1H-1,2,3-triazole-4-carboxylate de méthyle [French] [ACD/IUPAC Name]
1147199-25-4 [RN]
1H-1,2,3-Triazole-4-carboxylic acid, 1-(4-chlorophenyl)-5-methyl-, methyl ester [ACD/Index Name]
METHYL 1-(4-CHLOROPHENYL)-5-METHYL-1,2,3-TRIAZOLE-4-CARBOXYLATE
Methyl 1-(4-chlorophenyl)-5-methyl-1H-1,2,3-triazole-4-carboxylate [ACD/IUPAC Name]
Methyl-1-(4-chlorphenyl)-5-methyl-1H-1,2,3-triazol-4-carboxylat [German] [ACD/IUPAC Name]
[1147199-25-4] [RN]
1-(4-Chloro-phenyl)-5-methyl-1H-[1,2,3]triazole-4-carboxylic acid methyl ester
298-12-4 [RN]
4-(2-(Methylthio)ethyl)-1,2,5-thiadiazolidin-3-one 1,1-dioxide
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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: 385.1±52.0 °C at 760 mmHg
    Vapour Pressure: 0.0±0.9 mmHg at 25°C
    Enthalpy of Vaporization: 63.4±3.0 kJ/mol
    Flash Point: 186.7±30.7 °C
    Index of Refraction: 1.619
    Molar Refractivity: 64.7±0.5 cm3
    #H bond acceptors: 5
    #H bond donors: 0
    #Freely Rotating Bonds: 3
    #Rule of 5 Violations: 0
    ACD/LogP: 2.84
    ACD/LogD (pH 5.5): 2.41
    ACD/BCF (pH 5.5): 39.93
    ACD/KOC (pH 5.5): 487.34
    ACD/LogD (pH 7.4): 2.41
    ACD/BCF (pH 7.4): 39.93
    ACD/KOC (pH 7.4): 487.34
    Polar Surface Area: 57 Å2
    Polarizability: 25.6±0.5 10-24cm3
    Surface Tension: 46.7±7.0 dyne/cm
    Molar Volume: 184.3±7.0 cm3

    Click to predict properties on the Chemicalize site


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