ChemSpider 2D Image | 1-{(Z)-[1-(4-Chlorophenyl)-3-methyl-5-oxo-1,5-dihydro-4H-pyrazol-4-ylidene]methyl}-3-nitroguanidine | C12H11ClN6O3

1-{(Z)-[1-(4-Chlorophenyl)-3-methyl-5-oxo-1,5-dihydro-4H-pyrazol-4-ylidene]methyl}-3-nitroguanidine

  • Molecular FormulaC12H11ClN6O3
  • Average mass322.707 Da
  • Monoisotopic mass322.058105 Da
  • ChemSpider ID29353585

  • Double-bond stereo - Double-bond stereo

More details:

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

1-{(Z)-[1-(4-Chlorophenyl)-3-methyl-5-oxo-1,5-dihydro-4H-pyrazol-4-ylidene]methyl}-3-nitroguanidine [ACD/IUPAC Name]
1-{(Z)-[1-(4-Chlorophényl)-3-méthyl-5-oxo-1,5-dihydro-4H-pyrazol-4-ylidène]méthyl}-3-nitroguanidine [French] [ACD/IUPAC Name]
1-{(Z)-[1-(4-Chlorphenyl)-3-methyl-5-oxo-1,5-dihydro-4H-pyrazol-4-yliden]methyl}-3-nitroguanidin [German] [ACD/IUPAC Name]
Guanidine, N-[(Z)-[1-(4-chlorophenyl)-1,5-dihydro-3-methyl-5-oxo-4H-pyrazol-4-ylidene]methyl]-N'-nitro- [ACD/Index Name]
N-{(Z)-[1-(4-chlorophenyl)-3-methyl-5-oxo-1,5-dihydro-4H-pyrazol-4-ylidene]methyl}-N'-nitroguanidine

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

Density: 1.6±0.1 g/cm3
Boiling Point: 443.1±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.1 mmHg at 25°C
Enthalpy of Vaporization: 70.1±3.0 kJ/mol
Flash Point: 221.8±31.5 °C
Index of Refraction: 1.709
Molar Refractivity: 78.7±0.5 cm3
#H bond acceptors: 9
#H bond donors: 3
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 0.83
ACD/LogD (pH 5.5): -1.65
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -1.42
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 126 Å2
Polarizability: 31.2±0.5 10-24cm3
Surface Tension: 69.0±7.0 dyne/cm
Molar Volume: 201.6±7.0 cm3

Click to predict properties on the Chemicalize site


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