ChemSpider 2D Image | Methyl 6-amino-2-chloro-4-pyrimidinecarboxylate | C6H6ClN3O2

Methyl 6-amino-2-chloro-4-pyrimidinecarboxylate

  • Molecular FormulaC6H6ClN3O2
  • Average mass187.584 Da
  • Monoisotopic mass187.014847 Da
  • ChemSpider ID26052532

More details:

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

4-Pyrimidinecarboxylic acid, 6-amino-2-chloro-, methyl ester [ACD/Index Name]
6-Amino-2-chloro-4-pyrimidinecarboxylate de méthyle [French] [ACD/IUPAC Name]
944129-00-4 [RN]
Methyl 6-amino-2-chloro-4-pyrimidinecarboxylate [ACD/IUPAC Name]
Methyl 6-amino-2-chloropyrimidine-4-carboxylate
Methyl-6-amino-2-chlor-4-pyrimidincarboxylat [German] [ACD/IUPAC Name]
95%
methyl 2-chloro-6-imino-1,6-dihydropyrimidine-4-carboxylate
methylaminochloropyrimidinecarboxylate
MFCD14582103 [MDL number]
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    Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

    Density: 1.5±0.1 g/cm3
    Boiling Point: 413.2±25.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.0 mmHg at 25°C
    Enthalpy of Vaporization: 66.6±3.0 kJ/mol
    Flash Point: 203.7±23.2 °C
    Index of Refraction: 1.592
    Molar Refractivity: 43.3±0.3 cm3
    #H bond acceptors: 5
    #H bond donors: 2
    #Freely Rotating Bonds: 2
    #Rule of 5 Violations: 0
    ACD/LogP: 1.65
    ACD/LogD (pH 5.5): 1.02
    ACD/BCF (pH 5.5): 3.53
    ACD/KOC (pH 5.5): 85.77
    ACD/LogD (pH 7.4): 1.02
    ACD/BCF (pH 7.4): 3.53
    ACD/KOC (pH 7.4): 85.77
    Polar Surface Area: 78 Å2
    Polarizability: 17.2±0.5 10-24cm3
    Surface Tension: 64.0±3.0 dyne/cm
    Molar Volume: 128.0±3.0 cm3

    Click to predict properties on the Chemicalize site


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