ChemSpider 2D Image | [5-(Dimethylsulfamoyl)-2-fluoro-4-methylphenyl]boronic acid | C9H13BFNO4S

[5-(Dimethylsulfamoyl)-2-fluoro-4-methylphenyl]boronic acid

  • Molecular FormulaC9H13BFNO4S
  • Average mass261.078 Da
  • Monoisotopic mass261.064240 Da
  • ChemSpider ID34980338

More details:

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

(5-(N,N-dimethylsulfamoyl)-2-fluoro-4-methylphenyl)boronic acid
[5-(Dimethylsulfamoyl)-2-fluor-4-methylphenyl]borsäure [German] [ACD/IUPAC Name]
[5-(Dimethylsulfamoyl)-2-fluoro-4-methylphenyl]boronic acid [ACD/IUPAC Name]
1704121-40-3 [RN]
Acide [5-(diméthylsulfamoyl)-2-fluoro-4-méthylphényl]boronique [French] [ACD/IUPAC Name]
Boronic acid, B-[5-[(dimethylamino)sulfonyl]-2-fluoro-4-methylphenyl]- [ACD/Index Name]
5-(DIMETHYLSULFAMOYL)-2-FLUORO-4-METHYLPHENYLBORONIC ACID
MFCD28805619

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

    Density: 1.4±0.1 g/cm3
    Boiling Point: 433.5±55.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.1 mmHg at 25°C
    Enthalpy of Vaporization: 72.7±3.0 kJ/mol
    Flash Point: 216.0±31.5 °C
    Index of Refraction: 1.556
    Molar Refractivity: 60.0±0.4 cm3
    #H bond acceptors: 5
    #H bond donors: 2
    #Freely Rotating Bonds: 3
    #Rule of 5 Violations: 0
    ACD/LogP: 1.50
    ACD/LogD (pH 5.5): 1.41
    ACD/BCF (pH 5.5): 6.91
    ACD/KOC (pH 5.5): 138.53
    ACD/LogD (pH 7.4): 1.17
    ACD/BCF (pH 7.4): 4.01
    ACD/KOC (pH 7.4): 80.35
    Polar Surface Area: 86 Å2
    Polarizability: 23.8±0.5 10-24cm3
    Surface Tension: 52.2±5.0 dyne/cm
    Molar Volume: 186.7±5.0 cm3

    Click to predict properties on the Chemicalize site


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