ChemSpider 2D Image | 6-Amino-8-(bromoethynyl)-9H-purin-2-ol | C7H4BrN5O

6-Amino-8-(bromoethynyl)-9H-purin-2-ol

  • Molecular FormulaC7H4BrN5O
  • Average mass254.044 Da
  • Monoisotopic mass252.959915 Da
  • ChemSpider ID84266786

More details:

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

6-Amino-8-(bromethinyl)-9H-purin-2-ol [German] [ACD/IUPAC Name]
6-Amino-8-(bromoethynyl)-9H-purin-2-ol [ACD/IUPAC Name]
6-Amino-8-(bromoéthynyl)-9H-purin-2-ol [French] [ACD/IUPAC Name]
9H-Purin-2-ol, 6-amino-8-(2-bromoethynyl)- [ACD/Index Name]

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

Density: 2.3±0.1 g/cm3
Boiling Point: 687.3±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.2 mmHg at 25°C
Enthalpy of Vaporization: 104.4±3.0 kJ/mol
Flash Point: 369.5±34.3 °C
Index of Refraction: 1.887
Molar Refractivity: 51.8±0.4 cm3
#H bond acceptors: 6
#H bond donors: 4
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: 0.56
ACD/LogD (pH 5.5): -1.06
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -1.67
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 101 Å2
Polarizability: 20.5±0.5 10-24cm3
Surface Tension: 176.8±5.0 dyne/cm
Molar Volume: 112.4±5.0 cm3

Click to predict properties on the Chemicalize site


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