ChemSpider 2D Image | methyl 5-amino-4-chloro-2-methylpyrazole-3-carboxylate | C6H8ClN3O2

methyl 5-amino-4-chloro-2-methylpyrazole-3-carboxylate

  • Molecular FormulaC6H8ClN3O2
  • Average mass189.600 Da
  • Monoisotopic mass189.030502 Da
  • ChemSpider ID32695315

More details:

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

1784410-90-7 [RN]
1H-Pyrazole-5-carboxylic acid, 3-amino-4-chloro-1-methyl-, methyl ester [ACD/Index Name]
3-Amino-4-chloro-1-méthyl-1H-pyrazole-5-carboxylate de méthyle [French] [ACD/IUPAC Name]
Methyl 3-amino-4-chloro-1-methyl-1H-pyrazole-5-carboxylate [ACD/IUPAC Name]
methyl 5-amino-4-chloro-2-methylpyrazole-3-carboxylate
Methyl-3-amino-4-chlor-1-methyl-1H-pyrazol-5-carboxylat [German] [ACD/IUPAC Name]
5-Amino-4-chloro-2-methyl-2H-pyrazole-3-carboxylic acid methyl ester
AKOS023808116
methyl 4-chloro-5-imino-2-methyl-2,5-dihydro-1H-pyrazole-3-carboxylate
MFCD28641736
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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: 339.3±37.0 °C at 760 mmHg
    Vapour Pressure: 0.0±0.7 mmHg at 25°C
    Enthalpy of Vaporization: 58.3±3.0 kJ/mol
    Flash Point: 159.0±26.5 °C
    Index of Refraction: 1.609
    Molar Refractivity: 43.0±0.5 cm3
    #H bond acceptors: 5
    #H bond donors: 2
    #Freely Rotating Bonds: 2
    #Rule of 5 Violations: 0
    ACD/LogP: 0.45
    ACD/LogD (pH 5.5): 1.11
    ACD/BCF (pH 5.5): 4.10
    ACD/KOC (pH 5.5): 95.61
    ACD/LogD (pH 7.4): 1.11
    ACD/BCF (pH 7.4): 4.10
    ACD/KOC (pH 7.4): 95.61
    Polar Surface Area: 70 Å2
    Polarizability: 17.1±0.5 10-24cm3
    Surface Tension: 50.4±7.0 dyne/cm
    Molar Volume: 124.2±7.0 cm3

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