ChemSpider 2D Image | Methyl 3-bromo-1-[(2R)-tetrahydro-2H-pyran-2-yl]-1H-pyrazole-4-carboxylate | C10H13BrN2O3

Methyl 3-bromo-1-[(2R)-tetrahydro-2H-pyran-2-yl]-1H-pyrazole-4-carboxylate

  • Molecular FormulaC10H13BrN2O3
  • Average mass289.126 Da
  • Monoisotopic mass288.010956 Da
  • ChemSpider ID114452138

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

1H-Pyrazole-4-carboxylic acid, 3-bromo-1-[(2R)-tetrahydro-2H-pyran-2-yl]-, methyl ester [ACD/Index Name]
3-Bromo-1-[(2R)-tétrahydro-2H-pyran-2-yl]-1H-pyrazole-4-carboxylate de méthyle [French] [ACD/IUPAC Name]
Methyl 3-bromo-1-[(2R)-tetrahydro-2H-pyran-2-yl]-1H-pyrazole-4-carboxylate [ACD/IUPAC Name]
Methyl-3-brom-1-[(2R)-tetrahydro-2H-pyran-2-yl]-1H-pyrazol-4-carboxylat [German] [ACD/IUPAC Name]

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

Density: 1.7±0.1 g/cm3
Boiling Point: 391.1±42.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.9 mmHg at 25°C
Enthalpy of Vaporization: 64.1±3.0 kJ/mol
Flash Point: 190.3±27.9 °C
Index of Refraction: 1.625
Molar Refractivity: 61.5±0.5 cm3
#H bond acceptors: 5
#H bond donors: 0
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 1.46
ACD/LogD (pH 5.5): 1.88
ACD/BCF (pH 5.5): 15.78
ACD/KOC (pH 5.5): 250.78
ACD/LogD (pH 7.4): 1.88
ACD/BCF (pH 7.4): 15.78
ACD/KOC (pH 7.4): 250.78
Polar Surface Area: 53 Å2
Polarizability: 24.4±0.5 10-24cm3
Surface Tension: 50.8±7.0 dyne/cm
Molar Volume: 174.1±7.0 cm3

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