ChemSpider 2D Image | Methyl 2-amino-5-(methylsulfonyl)benzoate | C9H11NO4S

Methyl 2-amino-5-(methylsulfonyl)benzoate

  • Molecular FormulaC9H11NO4S
  • Average mass229.253 Da
  • Monoisotopic mass229.040878 Da
  • ChemSpider ID26051329

More details:

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

2-Amino-5-(méthylsulfonyl)benzoate de méthyle [French] [ACD/IUPAC Name]
90610-65-4 [RN]
Benzoic acid, 2-amino-5-(methylsulfonyl)-, methyl ester [ACD/Index Name]
Methyl 2-amino-5-(methylsulfonyl)benzoate [ACD/IUPAC Name]
Methyl-2-amino-5-(methylsulfonyl)benzoat [German] [ACD/IUPAC Name]
MFCD12159812 [MDL number]
[90610-65-4] [RN]
Methyl 2-amino-5-(methanesulfonyl)benzoate
methyl 2-amino-5-methanesulfonylbenzoate
methyl 2-amino-5-methylsulfonylbenzoate
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    Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

    Density: 1.3±0.1 g/cm3
    Boiling Point: 440.8±45.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.1 mmHg at 25°C
    Enthalpy of Vaporization: 69.8±3.0 kJ/mol
    Flash Point: 220.4±28.7 °C
    Index of Refraction: 1.554
    Molar Refractivity: 54.9±0.4 cm3
    #H bond acceptors: 5
    #H bond donors: 2
    #Freely Rotating Bonds: 3
    #Rule of 5 Violations: 0
    ACD/LogP: 1.38
    ACD/LogD (pH 5.5): 1.33
    ACD/BCF (pH 5.5): 6.01
    ACD/KOC (pH 5.5): 125.59
    ACD/LogD (pH 7.4): 1.33
    ACD/BCF (pH 7.4): 6.01
    ACD/KOC (pH 7.4): 125.59
    Polar Surface Area: 95 Å2
    Polarizability: 21.8±0.5 10-24cm3
    Surface Tension: 49.7±3.0 dyne/cm
    Molar Volume: 171.4±3.0 cm3

    Click to predict properties on the Chemicalize site


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