ChemSpider 2D Image | Methyl 1-benzyl-5-bromo-1H-pyrazole-3-carboxylate | C12H11BrN2O2

Methyl 1-benzyl-5-bromo-1H-pyrazole-3-carboxylate

  • Molecular FormulaC12H11BrN2O2
  • Average mass295.132 Da
  • Monoisotopic mass294.000397 Da
  • ChemSpider ID29354984

More details:

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

1434128-50-3 [RN]
1-Benzyl-5-bromo-1H-pyrazole-3-carboxylate de méthyle [French] [ACD/IUPAC Name]
1H-Pyrazole-3-carboxylic acid, 5-bromo-1-(phenylmethyl)-, methyl ester [ACD/Index Name]
Methyl 1-benzyl-5-bromo-1H-pyrazole-3-carboxylate [ACD/IUPAC Name]
Methyl-1-benzyl-5-brom-1H-pyrazol-3-carboxylat [German] [ACD/IUPAC Name]
[1434128-50-3] [RN]
4-(hydroxymethyl)picolinonitrile
7498-85-3 [RN]
ETHYL 2-CYANO-3-(1-NAPHTHALENYL)ACRYLATE
Methyl 1-Benzyl-5-bromopyrazole-3-carboxylate
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    Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

    Density: 1.5±0.1 g/cm3
    Boiling Point: 408.7±35.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.0 mmHg at 25°C
    Enthalpy of Vaporization: 66.1±3.0 kJ/mol
    Flash Point: 200.9±25.9 °C
    Index of Refraction: 1.611
    Molar Refractivity: 69.4±0.5 cm3
    #H bond acceptors: 4
    #H bond donors: 0
    #Freely Rotating Bonds: 4
    #Rule of 5 Violations: 0
    ACD/LogP: 2.54
    ACD/LogD (pH 5.5): 2.83
    ACD/BCF (pH 5.5): 82.74
    ACD/KOC (pH 5.5): 820.93
    ACD/LogD (pH 7.4): 2.83
    ACD/BCF (pH 7.4): 82.74
    ACD/KOC (pH 7.4): 820.93
    Polar Surface Area: 44 Å2
    Polarizability: 27.5±0.5 10-24cm3
    Surface Tension: 46.9±7.0 dyne/cm
    Molar Volume: 199.8±7.0 cm3

    Click to predict properties on the Chemicalize site


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