ChemSpider 2D Image | 5-(3-Bromophenyl)-1,2,4-oxadiazole-3-carboxylic acid | C9H5BrN2O3

5-(3-Bromophenyl)-1,2,4-oxadiazole-3-carboxylic acid

  • Molecular FormulaC9H5BrN2O3
  • Average mass269.052 Da
  • Monoisotopic mass267.948334 Da
  • ChemSpider ID24751074

More details:

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

1,2,4-Oxadiazole-3-carboxylic acid, 5-(3-bromophenyl)- [ACD/Index Name]
1216977-92-2 [RN]
5-(3-Bromophenyl)-1,2,4-oxadiazole-3-carboxylic acid [ACD/IUPAC Name]
5-(3-Bromphenyl)-1,2,4-oxadiazol-3-carbonsäure [German] [ACD/IUPAC Name]
Acide 5-(3-bromophényl)-1,2,4-oxadiazole-3-carboxylique [French] [ACD/IUPAC Name]
MFCD09027678 [MDL number]

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

Density: 1.8±0.1 g/cm3
Boiling Point: 454.8±47.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 75.3±3.0 kJ/mol
Flash Point: 228.9±29.3 °C
Index of Refraction: 1.625
Molar Refractivity: 53.9±0.3 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 2.42
ACD/LogD (pH 5.5): -0.39
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -0.92
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 76 Å2
Polarizability: 21.4±0.5 10-24cm3
Surface Tension: 66.2±3.0 dyne/cm
Molar Volume: 152.7±3.0 cm3

Click to predict properties on the Chemicalize site


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