ChemSpider 2D Image | Ethyl (3-iodo-5-nitro-1H-pyrazol-1-yl)acetate | C7H8IN3O4

Ethyl (3-iodo-5-nitro-1H-pyrazol-1-yl)acetate

  • Molecular FormulaC7H8IN3O4
  • Average mass325.061 Da
  • Monoisotopic mass324.955933 Da
  • ChemSpider ID68901183

More details:

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

(3-Iodo-5-nitro-1H-pyrazol-1-yl)acétate d'éthyle [French] [ACD/IUPAC Name]
1H-Pyrazole-1-acetic acid, 3-iodo-5-nitro-, ethyl ester [ACD/Index Name]
Ethyl (3-iodo-5-nitro-1H-pyrazol-1-yl)acetate [ACD/IUPAC Name]
Ethyl-(3-iod-5-nitro-1H-pyrazol-1-yl)acetat [German] [ACD/IUPAC Name]
2171314-20-6 [RN]
ethyl 2-(3-iodo-5-nitropyrazol-1-yl)acetate

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

Density: 2.1±0.1 g/cm3
Boiling Point: 401.0±35.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.9 mmHg at 25°C
Enthalpy of Vaporization: 65.2±3.0 kJ/mol
Flash Point: 196.3±25.9 °C
Index of Refraction: 1.678
Molar Refractivity: 59.6±0.5 cm3
#H bond acceptors: 7
#H bond donors: 0
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 1.99
ACD/LogD (pH 5.5): 1.46
ACD/BCF (pH 5.5): 7.55
ACD/KOC (pH 5.5): 147.87
ACD/LogD (pH 7.4): 1.46
ACD/BCF (pH 7.4): 7.55
ACD/KOC (pH 7.4): 147.87
Polar Surface Area: 90 Å2
Polarizability: 23.6±0.5 10-24cm3
Surface Tension: 65.0±7.0 dyne/cm
Molar Volume: 158.2±7.0 cm3

Click to predict properties on the Chemicalize site


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