ChemSpider 2D Image | 3-Acetyl-7-chloro-6-nitro-2H-chromen-2-one | C11H6ClNO5

3-Acetyl-7-chloro-6-nitro-2H-chromen-2-one

  • Molecular FormulaC11H6ClNO5
  • Average mass267.622 Da
  • Monoisotopic mass266.993439 Da
  • ChemSpider ID90620721

More details:

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

2H-1-Benzopyran-2-one, 3-acetyl-7-chloro-6-nitro- [ACD/Index Name]
3-Acetyl-7-chlor-6-nitro-2H-chromen-2-on [German] [ACD/IUPAC Name]
3-Acetyl-7-chloro-6-nitro-2H-chromen-2-one [ACD/IUPAC Name]
3-Acétyl-7-chloro-6-nitro-2H-chromén-2-one [French] [ACD/IUPAC Name]

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

Density: 1.6±0.1 g/cm3
Boiling Point: 502.8±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 77.2±3.0 kJ/mol
Flash Point: 257.9±30.1 °C
Index of Refraction: 1.628
Molar Refractivity: 60.4±0.3 cm3
#H bond acceptors: 6
#H bond donors: 0
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 2.82
ACD/LogD (pH 5.5): 2.62
ACD/BCF (pH 5.5): 57.48
ACD/KOC (pH 5.5): 632.50
ACD/LogD (pH 7.4): 2.62
ACD/BCF (pH 7.4): 57.48
ACD/KOC (pH 7.4): 632.50
Polar Surface Area: 89 Å2
Polarizability: 23.9±0.5 10-24cm3
Surface Tension: 64.1±3.0 dyne/cm
Molar Volume: 170.1±3.0 cm3

Click to predict properties on the Chemicalize site


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