ChemSpider 2D Image | 7-(1,3-Benzothiazol-2-yloxy)-2H-chromen-2-one | C16H9NO3S

7-(1,3-Benzothiazol-2-yloxy)-2H-chromen-2-one

  • Molecular FormulaC16H9NO3S
  • Average mass295.313 Da
  • Monoisotopic mass295.030304 Da
  • ChemSpider ID31333487

More details:

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

2H-1-Benzopyran-2-one, 7-(2-benzothiazolyloxy)- [ACD/Index Name]
7-(1,3-Benzothiazol-2-yloxy)-2H-chromen-2-on [German] [ACD/IUPAC Name]
7-(1,3-Benzothiazol-2-yloxy)-2H-chromen-2-one [ACD/IUPAC Name]
7-(1,3-Benzothiazol-2-yloxy)-2H-chromén-2-one [French] [ACD/IUPAC Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 500.6±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 76.9±3.0 kJ/mol
Flash Point: 256.6±32.9 °C
Index of Refraction: 1.717
Molar Refractivity: 80.5±0.3 cm3
#H bond acceptors: 4
#H bond donors: 0
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 3.78
ACD/LogD (pH 5.5): 3.18
ACD/BCF (pH 5.5): 154.74
ACD/KOC (pH 5.5): 1285.03
ACD/LogD (pH 7.4): 3.18
ACD/BCF (pH 7.4): 154.74
ACD/KOC (pH 7.4): 1285.07
Polar Surface Area: 77 Å2
Polarizability: 31.9±0.5 10-24cm3
Surface Tension: 66.2±3.0 dyne/cm
Molar Volume: 204.5±3.0 cm3

Click to predict properties on the Chemicalize site


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