ChemSpider 2D Image | 1-(4-Nitrophenyl)-5-(3-thienyl)-1H-pyrazole | C13H9N3O2S

1-(4-Nitrophenyl)-5-(3-thienyl)-1H-pyrazole

  • Molecular FormulaC13H9N3O2S
  • Average mass271.294 Da
  • Monoisotopic mass271.041534 Da
  • ChemSpider ID27445119

More details:

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

1-(4-Nitrophenyl)-5-(3-thienyl)-1H-pyrazol [German] [ACD/IUPAC Name]
1-(4-Nitrophenyl)-5-(3-thienyl)-1H-pyrazole [ACD/IUPAC Name]
1-(4-Nitrophényl)-5-(3-thiényl)-1H-pyrazole [French] [ACD/IUPAC Name]
1-(4-Nitrophenyl)-5-(thiophen-3-yl)-1H-pyrazole
1269293-11-9 [RN]
1H-Pyrazole, 1-(4-nitrophenyl)-5-(3-thienyl)- [ACD/Index Name]
1-(4-NITROPHENYL)-5-(THIOPHEN-3-YL)PYRAZOLE
1-(4-nitrophenyl)-5-thiophen-3-ylpyrazole
MFCD20275420

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: 1.4±0.1 g/cm3
    Boiling Point: 429.9±30.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.0 mmHg at 25°C
    Enthalpy of Vaporization: 65.9±3.0 kJ/mol
    Flash Point: 213.8±24.6 °C
    Index of Refraction: 1.714
    Molar Refractivity: 75.3±0.5 cm3
    #H bond acceptors: 5
    #H bond donors: 0
    #Freely Rotating Bonds: 3
    #Rule of 5 Violations: 0
    ACD/LogP: 4.09
    ACD/LogD (pH 5.5): 3.50
    ACD/BCF (pH 5.5): 267.27
    ACD/KOC (pH 5.5): 1900.26
    ACD/LogD (pH 7.4): 3.50
    ACD/BCF (pH 7.4): 267.27
    ACD/KOC (pH 7.4): 1900.26
    Polar Surface Area: 92 Å2
    Polarizability: 29.8±0.5 10-24cm3
    Surface Tension: 63.2±7.0 dyne/cm
    Molar Volume: 191.8±7.0 cm3

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