ChemSpider 2D Image | Ethyl 4-iodo-1H-pyrazole-1-acetate | C7H9IN2O2

Ethyl 4-iodo-1H-pyrazole-1-acetate

  • Molecular FormulaC7H9IN2O2
  • Average mass280.063 Da
  • Monoisotopic mass279.970856 Da
  • ChemSpider ID21436357

More details:

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

(4-Iodo-1H-pyrazol-1-yl)acétate d'éthyle [French] [ACD/IUPAC Name]
1H-Pyrazole-1-acetic acid, 4-iodo-, ethyl ester [ACD/Index Name]
82231-59-2 [RN]
Ethyl (4-iodo-1H-pyrazol-1-yl)acetate [ACD/IUPAC Name]
Ethyl 4-iodo-1H-pyrazole-1-acetate
Ethyl-(4-iod-1H-pyrazol-1-yl)acetat [German] [ACD/IUPAC Name]
(4-Iodo-pyrazol-1-yl)-acetic acid ethyl ester
1-(Ethoxycarbonylmethyl)-4-iodo-1H-pyrazole
AGN-PC-07XTCU
AKOS005174087
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    Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

    Density: 1.8±0.1 g/cm3
    Boiling Point: 320.6±22.0 °C at 760 mmHg
    Vapour Pressure: 0.0±0.7 mmHg at 25°C
    Enthalpy of Vaporization: 56.2±3.0 kJ/mol
    Flash Point: 147.7±22.3 °C
    Index of Refraction: 1.625
    Molar Refractivity: 54.0±0.5 cm3
    #H bond acceptors: 4
    #H bond donors: 0
    #Freely Rotating Bonds: 4
    #Rule of 5 Violations: 0
    ACD/LogP: 2.18
    ACD/LogD (pH 5.5): 2.14
    ACD/BCF (pH 5.5): 24.73
    ACD/KOC (pH 5.5): 345.86
    ACD/LogD (pH 7.4): 2.14
    ACD/BCF (pH 7.4): 24.73
    ACD/KOC (pH 7.4): 345.86
    Polar Surface Area: 44 Å2
    Polarizability: 21.4±0.5 10-24cm3
    Surface Tension: 48.9±7.0 dyne/cm
    Molar Volume: 152.7±7.0 cm3

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