ChemSpider 2D Image | 1-(Benzyloxy)-4-bromo-5-nitroisoquinoline | C16H11BrN2O3

1-(Benzyloxy)-4-bromo-5-nitroisoquinoline

  • Molecular FormulaC16H11BrN2O3
  • Average mass359.174 Da
  • Monoisotopic mass357.995300 Da
  • ChemSpider ID29434898

More details:

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

1-(Benzyloxy)-4-brom-5-nitroisochinolin [German] [ACD/IUPAC Name]
1-(Benzyloxy)-4-bromo-5-nitroisoquinoléine [French] [ACD/IUPAC Name]
1-(Benzyloxy)-4-bromo-5-nitroisoquinoline [ACD/IUPAC Name]
Isoquinoline, 4-bromo-5-nitro-1-(phenylmethoxy)- [ACD/Index Name]
1-Benzyloxy-4-bromo-5-nitroisoquinoline

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

Density: 1.6±0.1 g/cm3
Boiling Point: 491.1±40.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 72.9±3.0 kJ/mol
Flash Point: 250.8±27.3 °C
Index of Refraction: 1.689
Molar Refractivity: 87.6±0.3 cm3
#H bond acceptors: 5
#H bond donors: 0
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 1
ACD/LogP: 5.41
ACD/LogD (pH 5.5): 4.73
ACD/BCF (pH 5.5): 2305.74
ACD/KOC (pH 5.5): 8885.79
ACD/LogD (pH 7.4): 4.73
ACD/BCF (pH 7.4): 2305.74
ACD/KOC (pH 7.4): 8885.80
Polar Surface Area: 68 Å2
Polarizability: 34.7±0.5 10-24cm3
Surface Tension: 60.5±3.0 dyne/cm
Molar Volume: 229.5±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement