ChemSpider 2D Image | Methyl 3-(5-bromo-2-thienyl)-1H-pyrazole-5-carboxylate | C9H7BrN2O2S

Methyl 3-(5-bromo-2-thienyl)-1H-pyrazole-5-carboxylate

  • Molecular FormulaC9H7BrN2O2S
  • Average mass287.133 Da
  • Monoisotopic mass285.941162 Da
  • ChemSpider ID25082992

More details:

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

1H-Pyrazole-5-carboxylic acid, 3-(5-bromo-2-thienyl)-, methyl ester [ACD/Index Name]
3-(5-Bromo-2-thiényl)-1H-pyrazole-5-carboxylate de méthyle [French] [ACD/IUPAC Name]
Methyl 3-(5-bromo-2-thienyl)-1H-pyrazole-5-carboxylate [ACD/IUPAC Name]
Methyl-3-(5-brom-2-thienyl)-1H-pyrazol-5-carboxylat [German] [ACD/IUPAC Name]
1311185-18-8 [RN]
AKOS015956271
F2130-0124
methyl 3-(5-bromothiophen-2-yl)-1H-pyrazole-5-carboxylate
methyl 5-(5-bromothiophen-2-yl)-1H-pyrazole-3-carboxylate
methyl 5-(5-bromothiophen-2-yl)-2H-pyrazole-3-carboxylate
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    Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

    Density: 1.7±0.1 g/cm3
    Boiling Point: 448.5±45.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.1 mmHg at 25°C
    Enthalpy of Vaporization: 70.7±3.0 kJ/mol
    Flash Point: 225.0±28.7 °C
    Index of Refraction: 1.640
    Molar Refractivity: 61.2±0.3 cm3
    #H bond acceptors: 4
    #H bond donors: 1
    #Freely Rotating Bonds: 3
    #Rule of 5 Violations: 0
    ACD/LogP: 2.57
    ACD/LogD (pH 5.5): 2.67
    ACD/BCF (pH 5.5): 63.02
    ACD/KOC (pH 5.5): 675.55
    ACD/LogD (pH 7.4): 2.67
    ACD/BCF (pH 7.4): 62.37
    ACD/KOC (pH 7.4): 668.54
    Polar Surface Area: 83 Å2
    Polarizability: 24.3±0.5 10-24cm3
    Surface Tension: 60.1±3.0 dyne/cm
    Molar Volume: 169.8±3.0 cm3

    Click to predict properties on the Chemicalize site


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