ChemSpider 2D Image | 1-(2-Bromophenylsulfonyl)-1H-pyrazole | C9H7BrN2O2S

1-(2-Bromophenylsulfonyl)-1H-pyrazole

  • Molecular FormulaC9H7BrN2O2S
  • Average mass287.133 Da
  • Monoisotopic mass285.941162 Da
  • ChemSpider ID21472975

More details:

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

1-((2-Bromophenyl)sulfonyl)-1H-pyrazole
1-(2-bromophenylsulfonyl)-1-H-pyrazole
1-(2-Bromophenylsulfonyl)-1H-pyrazole
1-[(2-Bromophenyl)sulfonyl]-1H-pyrazole [ACD/IUPAC Name]
1-[(2-Bromophényl)sulfonyl]-1H-pyrazole [French] [ACD/IUPAC Name]
1-[(2-Bromphenyl)sulfonyl]-1H-pyrazol [German] [ACD/IUPAC Name]
1H-Pyrazole, 1-[(2-bromophenyl)sulfonyl]- [ACD/Index Name]
957120-65-9 [RN]
MFCD09800952 [MDL number]
[957120-65-9] [RN]
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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: 1.7±0.1 g/cm3
    Boiling Point: 437.0±47.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.0 mmHg at 25°C
    Enthalpy of Vaporization: 69.4±3.0 kJ/mol
    Flash Point: 218.1±29.3 °C
    Index of Refraction: 1.672
    Molar Refractivity: 63.2±0.5 cm3
    #H bond acceptors: 4
    #H bond donors: 0
    #Freely Rotating Bonds: 2
    #Rule of 5 Violations: 0
    ACD/LogP: 2.05
    ACD/LogD (pH 5.5): 2.09
    ACD/BCF (pH 5.5): 22.92
    ACD/KOC (pH 5.5): 327.51
    ACD/LogD (pH 7.4): 2.09
    ACD/BCF (pH 7.4): 22.92
    ACD/KOC (pH 7.4): 327.51
    Polar Surface Area: 60 Å2
    Polarizability: 25.1±0.5 10-24cm3
    Surface Tension: 60.5±7.0 dyne/cm
    Molar Volume: 168.8±7.0 cm3

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