ChemSpider 2D Image | 3-Bromo-4-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)benzoic acid | C12H9BrN2O3

3-Bromo-4-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)benzoic acid

  • Molecular FormulaC12H9BrN2O3
  • Average mass309.116 Da
  • Monoisotopic mass307.979645 Da
  • ChemSpider ID23960263

More details:

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

1131594-56-3 [RN]
3-Brom-4-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)benzoesäure [German] [ACD/IUPAC Name]
3-Bromo-4-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)benzoic acid [ACD/IUPAC Name]
Acide 3-bromo-4-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)benzoïque [French] [ACD/IUPAC Name]
Benzoic acid, 3-bromo-4-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)- [ACD/Index Name]
MFCD11110924 [MDL number]

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

Density: 1.7±0.1 g/cm3
Boiling Point: 487.7±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 79.4±3.0 kJ/mol
Flash Point: 248.8±31.5 °C
Index of Refraction: 1.651
Molar Refractivity: 66.0±0.3 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 3.15
ACD/LogD (pH 5.5): 0.54
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 3.49
ACD/LogD (pH 7.4): -0.13
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 76 Å2
Polarizability: 26.2±0.5 10-24cm3
Surface Tension: 69.6±3.0 dyne/cm
Molar Volume: 180.7±3.0 cm3

Click to predict properties on the Chemicalize site


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