ChemSpider 2D Image | Methyl 4-(5-amino-3-phenyl-1H-pyrazol-1-yl)-3-nitrobenzoate | C17H14N4O4

Methyl 4-(5-amino-3-phenyl-1H-pyrazol-1-yl)-3-nitrobenzoate

  • Molecular FormulaC17H14N4O4
  • Average mass338.318 Da
  • Monoisotopic mass338.101501 Da
  • ChemSpider ID21133098

More details:

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

4-(5-Amino-3-phényl-1H-pyrazol-1-yl)-3-nitrobenzoate de méthyle [French] [ACD/IUPAC Name]
Benzoic acid, 4-(5-amino-3-phenyl-1H-pyrazol-1-yl)-3-nitro-, methyl ester [ACD/Index Name]
Methyl 4-(5-amino-3-phenyl-1H-pyrazol-1-yl)-3-nitrobenzoate [ACD/IUPAC Name]
Methyl-4-(5-amino-3-phenyl-1H-pyrazol-1-yl)-3-nitrobenzoat [German] [ACD/IUPAC Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 586.9±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 87.6±3.0 kJ/mol
Flash Point: 308.7±30.1 °C
Index of Refraction: 1.668
Molar Refractivity: 89.9±0.5 cm3
#H bond acceptors: 8
#H bond donors: 2
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 3.53
ACD/LogD (pH 5.5): 2.93
ACD/BCF (pH 5.5): 100.13
ACD/KOC (pH 5.5): 941.05
ACD/LogD (pH 7.4): 2.93
ACD/BCF (pH 7.4): 100.14
ACD/KOC (pH 7.4): 941.15
Polar Surface Area: 116 Å2
Polarizability: 35.6±0.5 10-24cm3
Surface Tension: 59.6±7.0 dyne/cm
Molar Volume: 241.2±7.0 cm3

Click to predict properties on the Chemicalize site


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