ChemSpider 2D Image | 1-Hexyl-4-nitro-1H-pyrazole | C9H15N3O2

1-Hexyl-4-nitro-1H-pyrazole

  • Molecular FormulaC9H15N3O2
  • Average mass197.234 Da
  • Monoisotopic mass197.116425 Da
  • ChemSpider ID22504596

More details:






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

1-Hexyl-4-nitro-1H-pyrazol [German] [ACD/IUPAC Name]
1-Hexyl-4-nitro-1H-pyrazole [ACD/IUPAC Name]
1-Hexyl-4-nitro-1H-pyrazole [French] [ACD/IUPAC Name]
1H-Pyrazole, 1-hexyl-4-nitro- [ACD/Index Name]
1171685-13-4 [RN]
1-hexyl-4-nitropyrazole
1-HEXYL-4-NITROPYRAZOLE|1-HEXYL-4-NITRO-1H-PYRAZOLE
hexylnitropyrazole
MFCD11100253 [MDL number]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.2±0.1 g/cm3
Boiling Point: 309.2±15.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 52.8±3.0 kJ/mol
Flash Point: 140.8±20.4 °C
Index of Refraction: 1.552
Molar Refractivity: 54.0±0.5 cm3
#H bond acceptors: 5
#H bond donors: 0
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 3.10
ACD/LogD (pH 5.5): 2.97
ACD/BCF (pH 5.5): 106.88
ACD/KOC (pH 5.5): 986.02
ACD/LogD (pH 7.4): 2.97
ACD/BCF (pH 7.4): 106.88
ACD/KOC (pH 7.4): 986.02
Polar Surface Area: 64 Å2
Polarizability: 21.4±0.5 10-24cm3
Surface Tension: 45.5±7.0 dyne/cm
Molar Volume: 169.0±7.0 cm3

Click to predict properties on the Chemicalize site






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