ChemSpider 2D Image | 5-Chloro-6-nitro-2,1,3-benzoxadiazole | C6H2ClN3O3

5-Chloro-6-nitro-2,1,3-benzoxadiazole

  • Molecular FormulaC6H2ClN3O3
  • Average mass199.551 Da
  • Monoisotopic mass198.978470 Da
  • ChemSpider ID32683263

More details:

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

2,1,3-Benzoxadiazole, 5-chloro-6-nitro- [ACD/Index Name]
5-Chlor-6-nitro-2,1,3-benzoxadiazol [German] [ACD/IUPAC Name]
5-Chloro-6-nitro-2,1,3-benzoxadiazole [ACD/IUPAC Name]
5-Chloro-6-nitro-2,1,3-benzoxadiazole [French] [ACD/IUPAC Name]
22250-45-9 [RN]
MFCD18451288

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

Density: 1.7±0.1 g/cm3
Boiling Point: 336.8±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.7 mmHg at 25°C
Enthalpy of Vaporization: 55.7±3.0 kJ/mol
Flash Point: 157.5±28.7 °C
Index of Refraction: 1.679
Molar Refractivity: 44.0±0.3 cm3
#H bond acceptors: 6
#H bond donors: 0
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: 1.81
ACD/LogD (pH 5.5): 2.04
ACD/BCF (pH 5.5): 20.86
ACD/KOC (pH 5.5): 306.17
ACD/LogD (pH 7.4): 2.04
ACD/BCF (pH 7.4): 20.86
ACD/KOC (pH 7.4): 306.17
Polar Surface Area: 85 Å2
Polarizability: 17.5±0.5 10-24cm3
Surface Tension: 76.5±3.0 dyne/cm
Molar Volume: 116.6±3.0 cm3

Click to predict properties on the Chemicalize site


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