ChemSpider 2D Image | 2-Chloro-3-methyl-4-(methylsulfonyl)benzoic acid | C9H9ClO4S

2-Chloro-3-methyl-4-(methylsulfonyl)benzoic acid

  • Molecular FormulaC9H9ClO4S
  • Average mass248.683 Da
  • Monoisotopic mass247.991013 Da
  • ChemSpider ID13266021

More details:

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

106904-09-0 [RN]
2-Chlor-3-methyl-4-(methylsulfonyl)benzoesäure [German] [ACD/IUPAC Name]
2-Chloro-3-methyl-4-(methylsulfonyl)benzoic acid [ACD/IUPAC Name]
2-Chloro-4-(methylsulfonyl)-m-toluic acid
Acide 2-chloro-3-méthyl-4-(méthylsulfonyl)benzoïque [French] [ACD/IUPAC Name]
Benzoic acid, 2-chloro-3-methyl-4-(methylsulfonyl)- [ACD/Index Name]
WS1&R CG B1 DVQ [WLN]
2-Chloro-3-Methyl-4-(Methylsulfonyl)benzoic Acid (en)
2-chloro-3-methyl-4-(methylsulfonyl)benzoicacid
2-chloro-3-methyl-4-methylsulfonylbenzoic acid
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    Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

    Density: 1.4±0.1 g/cm3
    Boiling Point: 458.9±45.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.2 mmHg at 25°C
    Enthalpy of Vaporization: 75.8±3.0 kJ/mol
    Flash Point: 231.4±28.7 °C
    Index of Refraction: 1.564
    Molar Refractivity: 55.9±0.4 cm3
    #H bond acceptors: 4
    #H bond donors: 1
    #Freely Rotating Bonds: 2
    #Rule of 5 Violations: 0
    ACD/LogP: 1.64
    ACD/LogD (pH 5.5): -1.04
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 1.00
    ACD/LogD (pH 7.4): -1.26
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 1.00
    Polar Surface Area: 80 Å2
    Polarizability: 22.2±0.5 10-24cm3
    Surface Tension: 50.8±3.0 dyne/cm
    Molar Volume: 172.0±3.0 cm3

    Click to predict properties on the Chemicalize site


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