Found 8 results

Search term: MF = 'C_{12}H_{9}Br_{2}N_{5}O_{2}'
ChemSpider 2D Image | 4-(2,5-Dibromo-4-methoxyphenoxy)-1H-pyrazolo[3,4-d]pyrimidin-6-amine | C12H9Br2N5O2

4-(2,5-Dibromo-4-methoxyphenoxy)-1H-pyrazolo[3,4-d]pyrimidin-6-amine

  • Molecular FormulaC12H9Br2N5O2
  • Average mass415.040 Da
  • Monoisotopic mass412.912292 Da
  • ChemSpider ID41280161

More details:

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

1H-Pyrazolo[3,4-d]pyrimidin-6-amine, 4-(2,5-dibromo-4-methoxyphenoxy)- [ACD/Index Name]
4-(2,5-Dibrom-4-methoxyphenoxy)-1H-pyrazolo[3,4-d]pyrimidin-6-amin [German] [ACD/IUPAC Name]
4-(2,5-Dibromo-4-methoxyphenoxy)-1H-pyrazolo[3,4-d]pyrimidin-6-amine [ACD/IUPAC Name]
4-(2,5-Dibromo-4-méthoxyphénoxy)-1H-pyrazolo[3,4-d]pyrimidin-6-amine [French] [ACD/IUPAC Name]

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

Density: 2.0±0.1 g/cm3
Boiling Point: 586.0±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 87.5±3.0 kJ/mol
Flash Point: 308.2±32.9 °C
Index of Refraction: 1.746
Molar Refractivity: 85.5±0.3 cm3
#H bond acceptors: 7
#H bond donors: 3
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 3.11
ACD/LogD (pH 5.5): 3.22
ACD/BCF (pH 5.5): 165.07
ACD/KOC (pH 5.5): 1345.29
ACD/LogD (pH 7.4): 3.22
ACD/BCF (pH 7.4): 165.27
ACD/KOC (pH 7.4): 1346.96
Polar Surface Area: 99 Å2
Polarizability: 33.9±0.5 10-24cm3
Surface Tension: 78.7±3.0 dyne/cm
Molar Volume: 210.8±3.0 cm3

Click to predict properties on the Chemicalize site


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