ChemSpider 2D Image | 3-{[(4-Bromo-1H-pyrazol-1-yl)acetyl]amino}-2-hydroxy-2-methylpropanoic acid | C9H12BrN3O4

3-{[(4-Bromo-1H-pyrazol-1-yl)acetyl]amino}-2-hydroxy-2-methylpropanoic acid

  • Molecular FormulaC9H12BrN3O4
  • Average mass306.113 Da
  • Monoisotopic mass305.001099 Da
  • ChemSpider ID54480939

More details:

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

3-{[(4-Brom-1H-pyrazol-1-yl)acetyl]amino}-2-hydroxy-2-methylpropansäure [German] [ACD/IUPAC Name]
3-{[(4-Bromo-1H-pyrazol-1-yl)acetyl]amino}-2-hydroxy-2-methylpropanoic acid [ACD/IUPAC Name]
Acide 3-{[2-(4-bromo-1H-pyrazol-1-yl)acétyl]amino}-2-hydroxy-2-méthylpropanoïque [French] [ACD/IUPAC Name]
Propanoic acid, 3-[[2-(4-bromo-1H-pyrazol-1-yl)acetyl]amino]-2-hydroxy-2-methyl- [ACD/Index 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: 603.1±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 94.3±3.0 kJ/mol
Flash Point: 318.6±31.5 °C
Index of Refraction: 1.635
Molar Refractivity: 62.8±0.5 cm3
#H bond acceptors: 7
#H bond donors: 3
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 0.28
ACD/LogD (pH 5.5): -2.17
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -3.42
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 104 Å2
Polarizability: 24.9±0.5 10-24cm3
Surface Tension: 63.0±7.0 dyne/cm
Molar Volume: 175.5±7.0 cm3

Click to predict properties on the Chemicalize site


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