ChemSpider 2D Image | Ethyl 6-chloro-4-pyrimidinecarboxylate | C7H7ClN2O2

Ethyl 6-chloro-4-pyrimidinecarboxylate

  • Molecular FormulaC7H7ClN2O2
  • Average mass186.596 Da
  • Monoisotopic mass186.019608 Da
  • ChemSpider ID15359674

More details:

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

4-Pyrimidinecarboxylic acid, 6-chloro-, ethyl ester [ACD/Index Name]
51940-63-7 [RN]
6-Chloro-4-pyrimidinecarboxylate d'éthyle [French] [ACD/IUPAC Name]
Ethyl 6-chloro-4-pyrimidinecarboxylate [ACD/IUPAC Name]
Ethyl 6-chloropyrimidine-4-carboxylate
Ethyl-6-chlor-4-pyrimidincarboxylat [German] [ACD/IUPAC Name]
[51940-63-7] [RN]
6-Chloro-pyrimidine-4-carboxylic acid ethyl ester
Ethyl 6-Chloropyrimidine-4-Carboxylate (en)
ethyl-6-chloropyrimidine-4-carboxylate
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

CCRIS 4693 [DBID]

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

    Density: 1.3±0.1 g/cm3
    Boiling Point: 284.5±20.0 °C at 760 mmHg
    Vapour Pressure: 0.0±0.6 mmHg at 25°C
    Enthalpy of Vaporization: 52.4±3.0 kJ/mol
    Flash Point: 125.9±21.8 °C
    Index of Refraction: 1.527
    Molar Refractivity: 43.7±0.3 cm3
    #H bond acceptors: 4
    #H bond donors: 0
    #Freely Rotating Bonds: 3
    #Rule of 5 Violations: 0
    ACD/LogP: 1.13
    ACD/LogD (pH 5.5): 0.79
    ACD/BCF (pH 5.5): 2.33
    ACD/KOC (pH 5.5): 63.81
    ACD/LogD (pH 7.4): 0.79
    ACD/BCF (pH 7.4): 2.33
    ACD/KOC (pH 7.4): 63.81
    Polar Surface Area: 52 Å2
    Polarizability: 17.3±0.5 10-24cm3
    Surface Tension: 48.9±3.0 dyne/cm
    Molar Volume: 142.2±3.0 cm3

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