ChemSpider 2D Image | 4-Bromo-5-methyl-7-nitro-2,1,3-benzoxadiazole | C7H4BrN3O3

4-Bromo-5-methyl-7-nitro-2,1,3-benzoxadiazole

  • Molecular FormulaC7H4BrN3O3
  • Average mass258.029 Da
  • Monoisotopic mass256.943604 Da
  • ChemSpider ID81364368

More details:

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

2,1,3-Benzoxadiazole, 4-bromo-5-methyl-7-nitro- [ACD/Index Name]
4-Brom-5-methyl-7-nitro-2,1,3-benzoxadiazol [German] [ACD/IUPAC Name]
4-Bromo-5-methyl-7-nitro-2,1,3-benzoxadiazole [ACD/IUPAC Name]
4-Bromo-5-méthyl-7-nitro-2,1,3-benzoxadiazole [French] [ACD/IUPAC Name]
2402829-73-4 [RN]
MFCD32220095

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

Density: 1.9±0.1 g/cm3
Boiling Point: 369.6±52.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.8 mmHg at 25°C
Enthalpy of Vaporization: 59.2±3.0 kJ/mol
Flash Point: 177.3±30.7 °C
Index of Refraction: 1.677
Molar Refractivity: 51.6±0.3 cm3
#H bond acceptors: 6
#H bond donors: 0
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: 2.48
ACD/LogD (pH 5.5): 2.48
ACD/BCF (pH 5.5): 44.87
ACD/KOC (pH 5.5): 529.75
ACD/LogD (pH 7.4): 2.48
ACD/BCF (pH 7.4): 44.87
ACD/KOC (pH 7.4): 529.75
Polar Surface Area: 85 Å2
Polarizability: 20.5±0.5 10-24cm3
Surface Tension: 70.3±3.0 dyne/cm
Molar Volume: 137.1±3.0 cm3

Click to predict properties on the Chemicalize site


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