ChemSpider 2D Image | 2-[(5-Bromo-3-thienyl)methyl]-1(2H)-phthalazinone | C13H9BrN2OS

2-[(5-Bromo-3-thienyl)methyl]-1(2H)-phthalazinone

  • Molecular FormulaC13H9BrN2OS
  • Average mass321.192 Da
  • Monoisotopic mass319.961884 Da
  • ChemSpider ID29835372

More details:

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

1(2H)-Phthalazinone, 2-[(5-bromo-3-thienyl)methyl]- [ACD/Index Name]
2-[(5-Brom-3-thienyl)methyl]-1(2H)-phthalazinon [German] [ACD/IUPAC Name]
2-[(5-Bromo-3-thiényl)méthyl]-1(2H)-phtalazinone [French] [ACD/IUPAC Name]
2-[(5-Bromo-3-thienyl)methyl]-1(2H)-phthalazinone [ACD/IUPAC Name]
2-[(5-BROMOTHIOPHEN-3-YL)METHYL]PHTHALAZIN-1-ONE

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

Density: 1.6±0.1 g/cm3
Boiling Point: 474.7±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 73.8±3.0 kJ/mol
Flash Point: 240.9±31.5 °C
Index of Refraction: 1.726
Molar Refractivity: 78.0±0.5 cm3
#H bond acceptors: 3
#H bond donors: 0
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 2.92
ACD/LogD (pH 5.5): 3.35
ACD/BCF (pH 5.5): 208.32
ACD/KOC (pH 5.5): 1589.82
ACD/LogD (pH 7.4): 3.35
ACD/BCF (pH 7.4): 208.32
ACD/KOC (pH 7.4): 1589.82
Polar Surface Area: 61 Å2
Polarizability: 30.9±0.5 10-24cm3
Surface Tension: 59.3±7.0 dyne/cm
Molar Volume: 196.2±7.0 cm3

Click to predict properties on the Chemicalize site


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