ChemSpider 2D Image | 5-Nitro-2,1,3-benzoxadiazol-4-ol | C6H3N3O4

5-Nitro-2,1,3-benzoxadiazol-4-ol

  • Molecular FormulaC6H3N3O4
  • Average mass181.106 Da
  • Monoisotopic mass181.012360 Da
  • ChemSpider ID57461001

More details:

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

2,1,3-Benzoxadiazol-4-ol, 5-nitro- [ACD/Index Name]
22250-52-8 [RN]
5-Nitro-2,1,3-benzoxadiazol-4-ol [German] [ACD/IUPAC Name]
5-Nitro-2,1,3-benzoxadiazol-4-ol [ACD/IUPAC Name]
5-Nitro-2,1,3-benzoxadiazol-4-ol [French] [ACD/IUPAC Name]
5-Nitrobenzo[c][1,2,5]oxadiazol-4-ol

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

Density: 1.8±0.1 g/cm3
Boiling Point: 319.7±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.7 mmHg at 25°C
Enthalpy of Vaporization: 58.4±3.0 kJ/mol
Flash Point: 147.1±28.7 °C
Index of Refraction: 1.727
Molar Refractivity: 41.0±0.3 cm3
#H bond acceptors: 7
#H bond donors: 1
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: 1.18
ACD/LogD (pH 5.5): -1.72
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -2.00
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 105 Å2
Polarizability: 16.3±0.5 10-24cm3
Surface Tension: 97.5±3.0 dyne/cm
Molar Volume: 103.1±3.0 cm3

Click to predict properties on the Chemicalize site


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