ChemSpider 2D Image | 5-[(4-Bromo-3-nitro-1H-pyrazol-1-yl)methyl]-3-isobutyl-1,2,4-oxadiazole | C10H12BrN5O3

5-[(4-Bromo-3-nitro-1H-pyrazol-1-yl)methyl]-3-isobutyl-1,2,4-oxadiazole

  • Molecular FormulaC10H12BrN5O3
  • Average mass330.138 Da
  • Monoisotopic mass329.012329 Da
  • ChemSpider ID26115098

More details:

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

1,2,4-Oxadiazole, 5-[(4-bromo-3-nitro-1H-pyrazol-1-yl)methyl]-3-(2-methylpropyl)- [ACD/Index Name]
5-[(4-Brom-3-nitro-1H-pyrazol-1-yl)methyl]-3-isobutyl-1,2,4-oxadiazol [German] [ACD/IUPAC Name]
5-[(4-Bromo-3-nitro-1H-pyrazol-1-yl)methyl]-3-isobutyl-1,2,4-oxadiazole [ACD/IUPAC Name]
5-[(4-Bromo-3-nitro-1H-pyrazol-1-yl)méthyl]-3-isobutyl-1,2,4-oxadiazole [French] [ACD/IUPAC Name]

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

Density: 1.8±0.1 g/cm3
Boiling Point: 440.2±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.0 mmHg at 25°C
Enthalpy of Vaporization: 67.0±3.0 kJ/mol
Flash Point: 220.0±31.5 °C
Index of Refraction: 1.696
Molar Refractivity: 70.9±0.5 cm3
#H bond acceptors: 8
#H bond donors: 0
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 2.09
ACD/LogD (pH 5.5): 1.97
ACD/BCF (pH 5.5): 18.51
ACD/KOC (pH 5.5): 281.07
ACD/LogD (pH 7.4): 1.97
ACD/BCF (pH 7.4): 18.51
ACD/KOC (pH 7.4): 281.07
Polar Surface Area: 103 Å2
Polarizability: 28.1±0.5 10-24cm3
Surface Tension: 62.2±7.0 dyne/cm
Molar Volume: 184.2±7.0 cm3

Click to predict properties on the Chemicalize site


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