ChemSpider 2D Image | 2-Bromo-7-nitro-9H-thioxanthen-9-one | C13H6BrNO3S

2-Bromo-7-nitro-9H-thioxanthen-9-one

  • Molecular FormulaC13H6BrNO3S
  • Average mass336.161 Da
  • Monoisotopic mass334.925171 Da
  • ChemSpider ID26667054

More details:

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

2-Brom-7-nitro-9H-thioxanthen-9-on [German] [ACD/IUPAC Name]
2-Bromo-7-nitro-9H-thioxanthen-9-one [ACD/IUPAC Name]
2-Bromo-7-nitro-9H-thioxanthén-9-one [French] [ACD/IUPAC Name]
9H-Thioxanthen-9-one, 2-bromo-7-nitro- [ACD/Index Name]

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

Density: 1.8±0.1 g/cm3
Boiling Point: 509.6±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 78.0±3.0 kJ/mol
Flash Point: 262.0±30.1 °C
Index of Refraction: 1.736
Molar Refractivity: 76.3±0.3 cm3
#H bond acceptors: 4
#H bond donors: 0
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: 4.49
ACD/LogD (pH 5.5): 4.39
ACD/BCF (pH 5.5): 1277.00
ACD/KOC (pH 5.5): 5821.16
ACD/LogD (pH 7.4): 4.39
ACD/BCF (pH 7.4): 1277.00
ACD/KOC (pH 7.4): 5821.16
Polar Surface Area: 88 Å2
Polarizability: 30.3±0.5 10-24cm3
Surface Tension: 70.2±3.0 dyne/cm
Molar Volume: 190.1±3.0 cm3

Click to predict properties on the Chemicalize site


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