ChemSpider 2D Image | 4-(5-Bromo-3-nitro-1H-pyrazol-1-yl)butanoic acid | C7H8BrN3O4

4-(5-Bromo-3-nitro-1H-pyrazol-1-yl)butanoic acid

  • Molecular FormulaC7H8BrN3O4
  • Average mass278.060 Da
  • Monoisotopic mass276.969818 Da
  • ChemSpider ID68901166

More details:

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

1H-Pyrazole-1-butanoic acid, 5-bromo-3-nitro- [ACD/Index Name]
4-(5-Brom-3-nitro-1H-pyrazol-1-yl)butansäure [German] [ACD/IUPAC Name]
4-(5-Bromo-3-nitro-1H-pyrazol-1-yl)butanoic acid [ACD/IUPAC Name]
Acide 4-(5-bromo-3-nitro-1H-pyrazol-1-yl)butanoïque [French] [ACD/IUPAC Name]
2171323-72-9 [RN]

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

Density: 1.9±0.1 g/cm3
Boiling Point: 470.5±35.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 77.2±3.0 kJ/mol
Flash Point: 238.3±25.9 °C
Index of Refraction: 1.671
Molar Refractivity: 54.2±0.5 cm3
#H bond acceptors: 7
#H bond donors: 1
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 0.97
ACD/LogD (pH 5.5): -0.12
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 7.23
ACD/LogD (pH 7.4): -1.92
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 101 Å2
Polarizability: 21.5±0.5 10-24cm3
Surface Tension: 73.5±7.0 dyne/cm
Molar Volume: 144.8±7.0 cm3

Click to predict properties on the Chemicalize site


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