ChemSpider 2D Image | 1,3-Benzodioxol-5-yl (6-nitro-3-oxo-2,3-dihydro-4H-1,4-benzoxazin-4-yl)acetate | C17H12N2O8

1,3-Benzodioxol-5-yl (6-nitro-3-oxo-2,3-dihydro-4H-1,4-benzoxazin-4-yl)acetate

  • Molecular FormulaC17H12N2O8
  • Average mass372.286 Da
  • Monoisotopic mass372.059357 Da
  • ChemSpider ID22298487

More details:

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

(6-Nitro-3-oxo-2,3-dihydro-4H-1,4-benzoxazin-4-yl)acétate de 1,3-benzodioxol-5-yle [French] [ACD/IUPAC Name]
1,3-Benzodioxol-5-yl (6-nitro-3-oxo-2,3-dihydro-4H-1,4-benzoxazin-4-yl)acetate [ACD/IUPAC Name]
1,3-Benzodioxol-5-yl-(6-nitro-3-oxo-2,3-dihydro-4H-1,4-benzoxazin-4-yl)acetat [German] [ACD/IUPAC Name]
4H-1,4-Benzoxazine-4-acetic acid, 2,3-dihydro-6-nitro-3-oxo-, 1,3-benzodioxol-5-yl ester [ACD/Index Name]

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

Density: 1.5±0.1 g/cm3
Boiling Point: 674.5±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 99.1±3.0 kJ/mol
Flash Point: 361.7±31.5 °C
Index of Refraction: 1.646
Molar Refractivity: 87.4±0.3 cm3
#H bond acceptors: 10
#H bond donors: 0
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 1
ACD/LogP: 2.60
ACD/LogD (pH 5.5): 2.12
ACD/BCF (pH 5.5): 24.08
ACD/KOC (pH 5.5): 339.28
ACD/LogD (pH 7.4): 2.12
ACD/BCF (pH 7.4): 24.08
ACD/KOC (pH 7.4): 339.28
Polar Surface Area: 120 Å2
Polarizability: 34.7±0.5 10-24cm3
Surface Tension: 66.7±3.0 dyne/cm
Molar Volume: 241.0±3.0 cm3

Click to predict properties on the Chemicalize site


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