ChemSpider 2D Image | 3-[(4-Bromo-3-nitro-1H-pyrazol-1-yl)methyl]-1,2-oxazole | C7H5BrN4O3

3-[(4-Bromo-3-nitro-1H-pyrazol-1-yl)methyl]-1,2-oxazole

  • Molecular FormulaC7H5BrN4O3
  • Average mass273.044 Da
  • Monoisotopic mass271.954498 Da
  • ChemSpider ID97203848

More details:

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

3-[(4-Brom-3-nitro-1H-pyrazol-1-yl)methyl]-1,2-oxazol [German] [ACD/IUPAC Name]
3-[(4-Bromo-3-nitro-1H-pyrazol-1-yl)methyl]-1,2-oxazole [ACD/IUPAC Name]
3-[(4-Bromo-3-nitro-1H-pyrazol-1-yl)méthyl]-1,2-oxazole [French] [ACD/IUPAC Name]
Isoxazole, 3-[(4-bromo-3-nitro-1H-pyrazol-1-yl)methyl]- [ACD/Index Name]

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

Density: 2.1±0.1 g/cm3
Boiling Point: 431.7±40.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.0 mmHg at 25°C
Enthalpy of Vaporization: 66.1±3.0 kJ/mol
Flash Point: 214.9±27.3 °C
Index of Refraction: 1.754
Molar Refractivity: 54.4±0.5 cm3
#H bond acceptors: 7
#H bond donors: 0
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 0.46
ACD/LogD (pH 5.5): 1.08
ACD/BCF (pH 5.5): 3.89
ACD/KOC (pH 5.5): 91.99
ACD/LogD (pH 7.4): 1.08
ACD/BCF (pH 7.4): 3.89
ACD/KOC (pH 7.4): 91.99
Polar Surface Area: 90 Å2
Polarizability: 21.6±0.5 10-24cm3
Surface Tension: 79.4±7.0 dyne/cm
Molar Volume: 132.9±7.0 cm3

Click to predict properties on the Chemicalize site


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