ChemSpider 2D Image | 3-Bromo-4-({[(2-methyl-2-propanyl)oxy]carbonyl}amino)-1H-pyrazole-5-carboxylic acid | C9H12BrN3O4

3-Bromo-4-({[(2-methyl-2-propanyl)oxy]carbonyl}amino)-1H-pyrazole-5-carboxylic acid

  • Molecular FormulaC9H12BrN3O4
  • Average mass306.113 Da
  • Monoisotopic mass305.001099 Da
  • ChemSpider ID71101617

More details:

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

1H-Pyrazole-5-carboxylic acid, 3-bromo-4-[[(1,1-dimethylethoxy)carbonyl]amino]- [ACD/Index Name]
3-Brom-4-({[(2-methyl-2-propanyl)oxy]carbonyl}amino)-1H-pyrazol-5-carbonsäure [German] [ACD/IUPAC Name]
3-Bromo-4-({[(2-methyl-2-propanyl)oxy]carbonyl}amino)-1H-pyrazole-5-carboxylic acid [ACD/IUPAC Name]
Acide 3-bromo-4-({[(2-méthyl-2-propanyl)oxy]carbonyl}amino)-1H-pyrazole-5-carboxylique [French] [ACD/IUPAC Name]
3-bromo-4-{[(tert-butoxy)carbonyl]amino}-1H-pyrazole-5-carboxylic acid

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

Density: 1.7±0.1 g/cm3
Boiling Point: 421.8±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.1 mmHg at 25°C
Enthalpy of Vaporization: 71.3±3.0 kJ/mol
Flash Point: 208.9±28.7 °C
Index of Refraction: 1.626
Molar Refractivity: 63.3±0.3 cm3
#H bond acceptors: 7
#H bond donors: 3
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 2.96
ACD/LogD (pH 5.5): -0.25
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -0.64
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 104 Å2
Polarizability: 25.1±0.5 10-24cm3
Surface Tension: 67.1±3.0 dyne/cm
Molar Volume: 178.7±3.0 cm3

Click to predict properties on the Chemicalize site


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