ChemSpider 2D Image | 2-(3-Bromo-1H-1,2,4-triazol-1-yl)ethyl 1,3,5-trimethyl-1H-pyrazole-4-carboxylate | C11H14BrN5O2

2-(3-Bromo-1H-1,2,4-triazol-1-yl)ethyl 1,3,5-trimethyl-1H-pyrazole-4-carboxylate

  • Molecular FormulaC11H14BrN5O2
  • Average mass328.165 Da
  • Monoisotopic mass327.033081 Da
  • ChemSpider ID65091071

More details:

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

1,3,5-Triméthyl-1H-pyrazole-4-carboxylate de 2-(3-bromo-1H-1,2,4-triazol-1-yl)éthyle [French] [ACD/IUPAC Name]
1H-Pyrazole-4-carboxylic acid, 1,3,5-trimethyl-, 2-(3-bromo-1H-1,2,4-triazol-1-yl)ethyl ester [ACD/Index Name]
2-(3-Brom-1H-1,2,4-triazol-1-yl)ethyl-1,3,5-trimethyl-1H-pyrazol-4-carboxylat [German] [ACD/IUPAC Name]
2-(3-Bromo-1H-1,2,4-triazol-1-yl)ethyl 1,3,5-trimethyl-1H-pyrazole-4-carboxylate [ACD/IUPAC Name]

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

Density: 1.6±0.1 g/cm3
Boiling Point: 473.6±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 73.7±3.0 kJ/mol
Flash Point: 240.3±31.5 °C
Index of Refraction: 1.658
Molar Refractivity: 74.5±0.5 cm3
#H bond acceptors: 7
#H bond donors: 0
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 2.14
ACD/LogD (pH 5.5): 2.17
ACD/BCF (pH 5.5): 26.39
ACD/KOC (pH 5.5): 362.26
ACD/LogD (pH 7.4): 2.17
ACD/BCF (pH 7.4): 26.39
ACD/KOC (pH 7.4): 362.27
Polar Surface Area: 75 Å2
Polarizability: 29.5±0.5 10-24cm3
Surface Tension: 52.0±7.0 dyne/cm
Molar Volume: 202.2±7.0 cm3

Click to predict properties on the Chemicalize site


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