ChemSpider 2D Image | Methyl 4-amino-2-chloro-5-pyrimidinecarboxylate | C6H6ClN3O2

Methyl 4-amino-2-chloro-5-pyrimidinecarboxylate

  • Molecular FormulaC6H6ClN3O2
  • Average mass187.584 Da
  • Monoisotopic mass187.014847 Da
  • ChemSpider ID24609621

More details:

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

4-Amino-2-chloro-5-pyrimidinecarboxylate de méthyle [French] [ACD/IUPAC Name]
858269-13-3 [RN]
Methyl 4-amino-2-chloro-5-pyrimidinecarboxylate [ACD/IUPAC Name]
Methyl 4-amino-2-chloropyrimidine-5-carboxylate
Methyl-4-amino-2-chlor-5-pyrimidincarboxylat [German] [ACD/IUPAC Name]
(2-isopropylphenyl)thiourea
(2-propan-2-ylphenyl)thiourea
[858269-13-3] [RN]
4-amino-2-chloro-pyrimidine-5-carboxylic acid methyl ester
5-Pyrimidinecarboxylic acid, 4-amino-2-chloro-, methyl ester [ACD/Index Name]
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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: 1.5±0.1 g/cm3
    Boiling Point: 371.9±22.0 °C at 760 mmHg
    Vapour Pressure: 0.0±0.8 mmHg at 25°C
    Enthalpy of Vaporization: 61.9±3.0 kJ/mol
    Flash Point: 178.7±22.3 °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: 2.09
    ACD/LogD (pH 5.5): 1.72
    ACD/BCF (pH 5.5): 11.98
    ACD/KOC (pH 5.5): 205.89
    ACD/LogD (pH 7.4): 1.72
    ACD/BCF (pH 7.4): 11.98
    ACD/KOC (pH 7.4): 205.89
    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

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