ChemSpider 2D Image | 5-Bromo-1H-pyrazolo[4,3-d]pyrimidine-3-carboxylic acid | C6H3BrN4O2

5-Bromo-1H-pyrazolo[4,3-d]pyrimidine-3-carboxylic acid

  • Molecular FormulaC6H3BrN4O2
  • Average mass243.018 Da
  • Monoisotopic mass241.943924 Da
  • ChemSpider ID26865196

More details:

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

1368148-48-4 [RN]
1H-Pyrazolo[4,3-d]pyrimidine-3-carboxylic acid, 5-bromo- [ACD/Index Name]
5-Brom-1H-pyrazolo[4,3-d]pyrimidin-3-carbonsäure [German] [ACD/IUPAC Name]
5-Bromo-1H-pyrazolo[4,3-d]pyrimidine-3-carboxylic acid [ACD/IUPAC Name]
Acide 5-bromo-1H-pyrazolo[4,3-d]pyrimidine-3-carboxylique [French] [ACD/IUPAC Name]
1h-pyrazolo[4,3-d]pyrimidine-3-carboxylic acid,5-bromo-

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

Density: 2.2±0.1 g/cm3
Boiling Point: 615.4±58.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 96.0±3.0 kJ/mol
Flash Point: 326.0±32.3 °C
Index of Refraction: 1.807
Molar Refractivity: 47.4±0.3 cm3
#H bond acceptors: 6
#H bond donors: 2
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: 0.17
ACD/LogD (pH 5.5): -2.18
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -2.59
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 92 Å2
Polarizability: 18.8±0.5 10-24cm3
Surface Tension: 121.1±3.0 dyne/cm
Molar Volume: 110.3±3.0 cm3

Click to predict properties on the Chemicalize site


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