ChemSpider 2D Image | 4-[(Cyanomethyl)sulfonyl]benzoic acid | C9H7NO4S

4-[(Cyanomethyl)sulfonyl]benzoic acid

  • Molecular FormulaC9H7NO4S
  • Average mass225.221 Da
  • Monoisotopic mass225.009583 Da
  • ChemSpider ID24200501

More details:

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

4-[(Cyanmethyl)sulfonyl]benzoesäure [German] [ACD/IUPAC Name]
4-[(Cyanomethyl)sulfonyl]benzoic acid [ACD/IUPAC Name]
Acide 4-[(cyanométhyl)sulfonyl]benzoïque [French] [ACD/IUPAC Name]
Benzoic acid, 4-[(cyanomethyl)sulfonyl]- [ACD/Index Name]
4-((cyanomethyl)sulfonyl)benzoic acid
4-(cyanomethanesulfonyl)benzoic acid
4-(cyanomethylsulfonyl)benzoic acid
4-[(cyanomethane)sulfonyl]benzoic acid
4-carboxyphenylsulfonylacetonitrile
4-Cyanomethanesulfonyl-benzoic acid
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    Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

    Density: 1.5±0.1 g/cm3
    Boiling Point: 523.3±50.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.4 mmHg at 25°C
    Enthalpy of Vaporization: 83.9±3.0 kJ/mol
    Flash Point: 270.3±30.1 °C
    Index of Refraction: 1.579
    Molar Refractivity: 51.0±0.4 cm3
    #H bond acceptors: 5
    #H bond donors: 1
    #Freely Rotating Bonds: 4
    #Rule of 5 Violations: 0
    ACD/LogP: 0.48
    ACD/LogD (pH 5.5): -1.39
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 1.00
    ACD/LogD (pH 7.4): -2.36
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 1.00
    Polar Surface Area: 104 Å2
    Polarizability: 20.2±0.5 10-24cm3
    Surface Tension: 63.2±3.0 dyne/cm
    Molar Volume: 153.6±3.0 cm3

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