ChemSpider 2D Image | Ethyl 5-amino-1-(5-chloro-1,3-benzothiazol-2-yl)-1H-pyrazole-4-carboxylate | C13H11ClN4O2S

Ethyl 5-amino-1-(5-chloro-1,3-benzothiazol-2-yl)-1H-pyrazole-4-carboxylate

  • Molecular FormulaC13H11ClN4O2S
  • Average mass322.770 Da
  • Monoisotopic mass322.029114 Da
  • ChemSpider ID26036668

More details:

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

1H-Pyrazole-4-carboxylic acid, 5-amino-1-(5-chloro-2-benzothiazolyl)-, ethyl ester [ACD/Index Name]
5-Amino-1-(5-chloro-1,3-benzothiazol-2-yl)-1H-pyrazole-4-carboxylate d'éthyle [French] [ACD/IUPAC Name]
Ethyl 5-amino-1-(5-chloro-1,3-benzothiazol-2-yl)-1H-pyrazole-4-carboxylate [ACD/IUPAC Name]
Ethyl-5-amino-1-(5-chlor-1,3-benzothiazol-2-yl)-1H-pyrazol-4-carboxylat [German] [ACD/IUPAC Name]
1232799-80-2 [RN]
5-Amino-1-(5-chloro-benzothiazol-2-yl)-1H-pyrazole-4-carboxylic acid ethyl ester
ethyl 5-amino-1-(5-chlorobenzo[d]thiazol-2-yl)-1H-pyrazole-4-carboxylate

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

    Density: 1.6±0.1 g/cm3
    Boiling Point: 526.6±58.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.4 mmHg at 25°C
    Enthalpy of Vaporization: 80.1±3.0 kJ/mol
    Flash Point: 272.3±32.3 °C
    Index of Refraction: 1.747
    Molar Refractivity: 81.3±0.5 cm3
    #H bond acceptors: 6
    #H bond donors: 2
    #Freely Rotating Bonds: 4
    #Rule of 5 Violations: 0
    ACD/LogP: 4.32
    ACD/LogD (pH 5.5): 3.38
    ACD/BCF (pH 5.5): 219.88
    ACD/KOC (pH 5.5): 1652.49
    ACD/LogD (pH 7.4): 3.38
    ACD/BCF (pH 7.4): 219.88
    ACD/KOC (pH 7.4): 1652.49
    Polar Surface Area: 111 Å2
    Polarizability: 32.2±0.5 10-24cm3
    Surface Tension: 65.1±7.0 dyne/cm
    Molar Volume: 200.1±7.0 cm3

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