ChemSpider 2D Image | 3-Bromo-7-oxo-4,7-dihydropyrazolo[1,5-a]pyrimidine-5-carboxylic acid | C7H4BrN3O3

3-Bromo-7-oxo-4,7-dihydropyrazolo[1,5-a]pyrimidine-5-carboxylic acid

  • Molecular FormulaC7H4BrN3O3
  • Average mass258.029 Da
  • Monoisotopic mass256.943604 Da
  • ChemSpider ID24598168

More details:

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

1260848-48-3 [RN]
3-Brom-7-oxo-4,7-dihydropyrazolo[1,5-a]pyrimidin-5-carbonsäure [German] [ACD/IUPAC Name]
3-Bromo-7-oxo-4,7-dihydropyrazolo[1,5-a]pyrimidine-5-carboxylic acid [ACD/IUPAC Name]
Acide 3-bromo-7-oxo-4,7-dihydropyrazolo[1,5-a]pyrimidine-5-carboxylique [French] [ACD/IUPAC Name]
Pyrazolo[1,5-a]pyrimidine-5-carboxylic acid, 3-bromo-4,7-dihydro-7-oxo- [ACD/Index Name]
1198475-37-4 [RN]
3-bromo-4,7-dihydro-7-oxopyrazolo[1,5-a]pyrimidine-5-carboxylic acid
MFCD12406133

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

Density: 2.3±0.1 g/cm3
Boiling Point: 439.7±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.1 mmHg at 25°C
Enthalpy of Vaporization: 73.4±3.0 kJ/mol
Flash Point: 219.7±31.5 °C
Index of Refraction: 1.837
Molar Refractivity: 49.9±0.5 cm3
#H bond acceptors: 6
#H bond donors: 2
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: -0.52
ACD/LogD (pH 5.5): -3.08
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -3.85
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 84 Å2
Polarizability: 19.8±0.5 10-24cm3
Surface Tension: 91.6±7.0 dyne/cm
Molar Volume: 112.9±7.0 cm3

Click to predict properties on the Chemicalize site


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