ChemSpider 2D Image | 4-Chloro-3,5-dimethyl-1-[(3-nitro-1H-pyrazol-1-yl)methyl]-1H-pyrazole | C9H10ClN5O2

4-Chloro-3,5-dimethyl-1-[(3-nitro-1H-pyrazol-1-yl)methyl]-1H-pyrazole

  • Molecular FormulaC9H10ClN5O2
  • Average mass255.661 Da
  • Monoisotopic mass255.052307 Da
  • ChemSpider ID28608019

More details:






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

1H-Pyrazole, 4-chloro-3,5-dimethyl-1-[(3-nitro-1H-pyrazol-1-yl)methyl]- [ACD/Index Name]
4-Chlor-3,5-dimethyl-1-[(3-nitro-1H-pyrazol-1-yl)methyl]-1H-pyrazol [German] [ACD/IUPAC Name]
4-Chloro-3,5-dimethyl-1-[(3-nitro-1H-pyrazol-1-yl)methyl]-1H-pyrazole [ACD/IUPAC Name]
4-Chloro-3,5-diméthyl-1-[(3-nitro-1H-pyrazol-1-yl)méthyl]-1H-pyrazole [French] [ACD/IUPAC Name]

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

Density: 1.6±0.1 g/cm3
Boiling Point: 427.5±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.0 mmHg at 25°C
Enthalpy of Vaporization: 65.6±3.0 kJ/mol
Flash Point: 212.3±28.7 °C
Index of Refraction: 1.690
Molar Refractivity: 62.8±0.5 cm3
#H bond acceptors: 7
#H bond donors: 0
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 2.02
ACD/LogD (pH 5.5): 1.88
ACD/BCF (pH 5.5): 15.66
ACD/KOC (pH 5.5): 249.36
ACD/LogD (pH 7.4): 1.88
ACD/BCF (pH 7.4): 15.66
ACD/KOC (pH 7.4): 249.36
Polar Surface Area: 81 Å2
Polarizability: 24.9±0.5 10-24cm3
Surface Tension: 60.8±7.0 dyne/cm
Molar Volume: 164.5±7.0 cm3

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