ChemSpider 2D Image | 2-(4,6-Diamino-1,3,5-triazin-2-yl)-4-fluorophenol | C9H8FN5O

2-(4,6-Diamino-1,3,5-triazin-2-yl)-4-fluorophenol

  • Molecular FormulaC9H8FN5O
  • Average mass221.191 Da
  • Monoisotopic mass221.071289 Da
  • ChemSpider ID26372181

More details:

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

2-(4,6-Diamino-1,3,5-triazin-2-yl)-4-fluorophenol [ACD/IUPAC Name]
2-(4,6-Diamino-1,3,5-triazin-2-yl)-4-fluorophénol [French] [ACD/IUPAC Name]
2-(4,6-Diamino-1,3,5-triazin-2-yl)-4-fluorphenol [German] [ACD/IUPAC Name]
Phenol, 2-(4,6-diamino-1,3,5-triazin-2-yl)-4-fluoro- [ACD/Index Name]
X67

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.6±0.1 g/cm3
Boiling Point: 570.6±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 88.8±3.0 kJ/mol
Flash Point: 298.9±32.9 °C
Index of Refraction: 1.712
Molar Refractivity: 55.5±0.3 cm3
#H bond acceptors: 6
#H bond donors: 5
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 1
ACD/LogP: 2.24
ACD/LogD (pH 5.5): 1.20
ACD/BCF (pH 5.5): 4.78
ACD/KOC (pH 5.5): 105.22
ACD/LogD (pH 7.4): 0.84
ACD/BCF (pH 7.4): 2.09
ACD/KOC (pH 7.4): 46.02
Polar Surface Area: 111 Å2
Polarizability: 22.0±0.5 10-24cm3
Surface Tension: 90.6±3.0 dyne/cm
Molar Volume: 141.6±3.0 cm3

Click to predict properties on the Chemicalize site


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