ChemSpider 2D Image | 1-[(4-Iodophenyl)sulfonyl]-3,4-bis(4-methoxyphenyl)-1H-pyrazole | C23H19IN2O4S

1-[(4-Iodophenyl)sulfonyl]-3,4-bis(4-methoxyphenyl)-1H-pyrazole

  • Molecular FormulaC23H19IN2O4S
  • Average mass546.377 Da
  • Monoisotopic mass546.010986 Da
  • ChemSpider ID3476608

More details:

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

1-[(4-Iodophenyl)sulfonyl]-3,4-bis(4-methoxyphenyl)-1H-pyrazole [ACD/IUPAC Name]
1-[(4-Iodophényl)sulfonyl]-3,4-bis(4-méthoxyphényl)-1H-pyrazole [French] [ACD/IUPAC Name]
1-[(4-Iodphenyl)sulfonyl]-3,4-bis(4-methoxyphenyl)-1H-pyrazol [German] [ACD/IUPAC Name]
1H-Pyrazole, 1-[(4-iodophenyl)sulfonyl]-3,4-bis(4-methoxyphenyl)- [ACD/Index Name]
1-(4-iodobenzenesulfonyl)-3,4-bis(4-methoxyphenyl)-1H-pyrazole
4-[1-[(4-iodophenyl)sulfonyl]-3-(4-methoxyphenyl)-1H-pyrazol-4-yl]phenyl methyl ether
956921-19-0 [RN]
MFCD03617458 [MDL number]

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

    Density: 1.5±0.1 g/cm3
    Boiling Point: 639.6±65.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.9 mmHg at 25°C
    Enthalpy of Vaporization: 94.4±3.0 kJ/mol
    Flash Point: 340.6±34.3 °C
    Index of Refraction: 1.659
    Molar Refractivity: 130.2±0.5 cm3
    #H bond acceptors: 6
    #H bond donors: 0
    #Freely Rotating Bonds: 6
    #Rule of 5 Violations: 2
    ACD/LogP: 5.49
    ACD/LogD (pH 5.5): 5.07
    ACD/BCF (pH 5.5): 4196.21
    ACD/KOC (pH 5.5): 13640.63
    ACD/LogD (pH 7.4): 5.07
    ACD/BCF (pH 7.4): 4196.21
    ACD/KOC (pH 7.4): 13640.63
    Polar Surface Area: 79 Å2
    Polarizability: 51.6±0.5 10-24cm3
    Surface Tension: 51.1±7.0 dyne/cm
    Molar Volume: 353.2±7.0 cm3

    Click to predict properties on the Chemicalize site


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