ChemSpider 2D Image | 2-(2-Bromo-4-fluorobenzyl)-1(2H)-phthalazinone | C15H10BrFN2O

2-(2-Bromo-4-fluorobenzyl)-1(2H)-phthalazinone

  • Molecular FormulaC15H10BrFN2O
  • Average mass333.155 Da
  • Monoisotopic mass331.996033 Da
  • ChemSpider ID30601956

More details:

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

1(2H)-Phthalazinone, 2-[(2-bromo-4-fluorophenyl)methyl]- [ACD/Index Name]
2-(2-Brom-4-fluorbenzyl)-1(2H)-phthalazinon [German] [ACD/IUPAC Name]
2-(2-Bromo-4-fluorobenzyl)-1(2H)-phtalazinone [French] [ACD/IUPAC Name]
2-(2-Bromo-4-fluorobenzyl)-1(2H)-phthalazinone [ACD/IUPAC Name]

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

Density: 1.5±0.1 g/cm3
Boiling Point: 466.3±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 72.8±3.0 kJ/mol
Flash Point: 235.8±31.5 °C
Index of Refraction: 1.652
Molar Refractivity: 79.3±0.5 cm3
#H bond acceptors: 3
#H bond donors: 0
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 3.20
ACD/LogD (pH 5.5): 3.93
ACD/BCF (pH 5.5): 572.16
ACD/KOC (pH 5.5): 3276.67
ACD/LogD (pH 7.4): 3.93
ACD/BCF (pH 7.4): 572.16
ACD/KOC (pH 7.4): 3276.67
Polar Surface Area: 33 Å2
Polarizability: 31.4±0.5 10-24cm3
Surface Tension: 48.6±7.0 dyne/cm
Molar Volume: 216.8±7.0 cm3

Click to predict properties on the Chemicalize site


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