ChemSpider 2D Image | 5-Chloro-4-nitro-1,3-dihydro-2,1,3-benzoxadiazole 1-oxide | C6H4ClN3O4

5-Chloro-4-nitro-1,3-dihydro-2,1,3-benzoxadiazole 1-oxide

  • Molecular FormulaC6H4ClN3O4
  • Average mass217.567 Da
  • Monoisotopic mass216.989029 Da
  • ChemSpider ID109396676

More details:

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

1-Oxyde de 5-chloro-4-nitro-1,3-dihydro-2,1,3-benzoxadiazole [French] [ACD/IUPAC Name]
2,1,3-Benzoxadiazole, 5-chloro-1,3-dihydro-4-nitro-, 1-oxide [ACD/Index Name]
5-Chlor-4-nitro-1,3-dihydro-2,1,3-benzoxadiazol-1-oxid [German] [ACD/IUPAC Name]
5-Chloro-4-nitro-1,3-dihydro-2,1,3-benzoxadiazole 1-oxide [ACD/IUPAC Name]

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

Density: 2.0±0.1 g/cm3
Boiling Point: 389.5±52.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.9 mmHg at 25°C
Enthalpy of Vaporization: 67.4±3.0 kJ/mol
Flash Point: 189.4±30.7 °C
Index of Refraction: 1.782
Molar Refractivity: 44.6±0.5 cm3
#H bond acceptors: 7
#H bond donors: 2
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: 2.44
ACD/LogD (pH 5.5): -0.42
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.72
ACD/LogD (pH 7.4): -2.11
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 84 Å2
Polarizability: 17.7±0.5 10-24cm3
Surface Tension: 92.9±7.0 dyne/cm
Molar Volume: 106.1±7.0 cm3

Click to predict properties on the Chemicalize site


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