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

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

  • Molecular FormulaC7H8BrN3O4
  • Average mass278.060 Da
  • Monoisotopic mass276.969818 Da
  • ChemSpider ID71139562

More details:

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

1H-Pyrazole-1-propanoic acid, 4-bromo-β-methyl-3-nitro- [ACD/Index Name]
3-(4-Brom-3-nitro-1H-pyrazol-1-yl)butansäure [German] [ACD/IUPAC Name]
3-(4-Bromo-3-nitro-1H-pyrazol-1-yl)butanoic acid [ACD/IUPAC Name]
Acide 3-(4-bromo-3-nitro-1H-pyrazol-1-yl)butanoïque [French] [ACD/IUPAC Name]

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

Density: 1.9±0.1 g/cm3
Boiling Point: 411.6±35.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.0 mmHg at 25°C
Enthalpy of Vaporization: 70.0±3.0 kJ/mol
Flash Point: 202.7±25.9 °C
Index of Refraction: 1.674
Molar Refractivity: 54.0±0.5 cm3
#H bond acceptors: 7
#H bond donors: 1
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 1.14
ACD/LogD (pH 5.5): -0.54
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 2.64
ACD/LogD (pH 7.4): -2.28
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 101 Å2
Polarizability: 21.4±0.5 10-24cm3
Surface Tension: 70.1±7.0 dyne/cm
Molar Volume: 143.9±7.0 cm3

Click to predict properties on the Chemicalize site


Advertisement