ChemSpider 2D Image | Ethyl 5-amino-3-chloro-1H-pyrazole-4-carboxylate | C6H8ClN3O2

Ethyl 5-amino-3-chloro-1H-pyrazole-4-carboxylate

  • Molecular FormulaC6H8ClN3O2
  • Average mass189.600 Da
  • Monoisotopic mass189.030502 Da
  • ChemSpider ID29358825

More details:

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

1380351-61-0 [RN]
1H-Pyrazole-4-carboxylic acid, 5-amino-3-chloro-, ethyl ester [ACD/Index Name]
5-Amino-3-chloro-1H-pyrazole-4-carboxylate d'éthyle [French] [ACD/IUPAC Name]
Ethyl 5-amino-3-chloro-1H-pyrazole-4-carboxylate [ACD/IUPAC Name]
Ethyl-5-amino-3-chlor-1H-pyrazol-4-carboxylat [German] [ACD/IUPAC Name]
4-Ethynyl-1-methylpiperidine [ACD/IUPAC Name]
Ethyl 3-amino-5-chloro-1H-pyrazole-4-carboxylate
ETHYL 3-AMINO-5-CHLORO-2H-PYRAZOLE-4-CARBOXYLATE
Ethyl5-amino-3-chloro-1H-pyrazole-4-carboxylate
MFCD22543892

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: 400.0±37.0 °C at 760 mmHg
    Vapour Pressure: 0.0±0.9 mmHg at 25°C
    Enthalpy of Vaporization: 65.1±3.0 kJ/mol
    Flash Point: 195.7±26.5 °C
    Index of Refraction: 1.600
    Molar Refractivity: 44.3±0.3 cm3
    #H bond acceptors: 5
    #H bond donors: 3
    #Freely Rotating Bonds: 3
    #Rule of 5 Violations: 0
    ACD/LogP: 2.63
    ACD/LogD (pH 5.5): 2.19
    ACD/BCF (pH 5.5): 27.25
    ACD/KOC (pH 5.5): 370.77
    ACD/LogD (pH 7.4): 2.19
    ACD/BCF (pH 7.4): 27.19
    ACD/KOC (pH 7.4): 369.91
    Polar Surface Area: 81 Å2
    Polarizability: 17.6±0.5 10-24cm3
    Surface Tension: 64.5±3.0 dyne/cm
    Molar Volume: 129.6±3.0 cm3

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