ChemSpider 2D Image | methyl 4-((5-methyl-1H-pyrazol-3-yl)amino)-3-nitrobenzoate | C12H12N4O4

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

  • Molecular FormulaC12H12N4O4
  • Average mass276.248 Da
  • Monoisotopic mass276.085846 Da
  • ChemSpider ID21133310

More details:

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

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

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

Density: 1.5±0.1 g/cm3
Boiling Point: 459.2±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.1 mmHg at 25°C
Enthalpy of Vaporization: 72.0±3.0 kJ/mol
Flash Point: 231.5±31.5 °C
Index of Refraction: 1.650
Molar Refractivity: 69.4±0.5 cm3
#H bond acceptors: 8
#H bond donors: 2
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 3.33
ACD/LogD (pH 5.5): 0.12
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 4.24
ACD/LogD (pH 7.4): 1.45
ACD/BCF (pH 7.4): 5.70
ACD/KOC (pH 7.4): 88.95
Polar Surface Area: 109 Å2
Polarizability: 27.5±0.5 10-24cm3
Surface Tension: 56.8±7.0 dyne/cm
Molar Volume: 190.3±7.0 cm3

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