ChemSpider 2D Image | 5-[(4-Bromo-1H-pyrazol-1-yl)methyl]-1,2,4-oxadiazole-3-carboxylic acid | C7H5BrN4O3

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

  • Molecular FormulaC7H5BrN4O3
  • Average mass273.044 Da
  • Monoisotopic mass271.954498 Da
  • ChemSpider ID61171271

More details:

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

1,2,4-Oxadiazole-3-carboxylic acid, 5-[(4-bromo-1H-pyrazol-1-yl)methyl]- [ACD/Index Name]
5-[(4-Brom-1H-pyrazol-1-yl)methyl]-1,2,4-oxadiazol-3-carbonsäure [German] [ACD/IUPAC Name]
5-[(4-Bromo-1H-pyrazol-1-yl)methyl]-1,2,4-oxadiazole-3-carboxylic acid [ACD/IUPAC Name]
Acide 5-[(4-bromo-1H-pyrazol-1-yl)méthyl]-1,2,4-oxadiazole-3-carboxylique [French] [ACD/IUPAC Name]
1936364-12-3 [RN]

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

Density: 2.2±0.1 g/cm3
Boiling Point: 497.3±51.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 80.6±3.0 kJ/mol
Flash Point: 254.6±30.4 °C
Index of Refraction: 1.785
Molar Refractivity: 53.5±0.5 cm3
#H bond acceptors: 7
#H bond donors: 1
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 0.47
ACD/LogD (pH 5.5): -1.80
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -2.32
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 94 Å2
Polarizability: 21.2±0.5 10-24cm3
Surface Tension: 82.7±7.0 dyne/cm
Molar Volume: 126.8±7.0 cm3

Click to predict properties on the Chemicalize site


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