ChemSpider 2D Image | [3-Fluoro-4-(isopropylsulfamoyl)phenyl]boronic acid | C9H13BFNO4S

[3-Fluoro-4-(isopropylsulfamoyl)phenyl]boronic acid

  • Molecular FormulaC9H13BFNO4S
  • Average mass261.078 Da
  • Monoisotopic mass261.064240 Da
  • ChemSpider ID34980442

More details:

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

(3-fluoro-4-(N-isopropylsulfamoyl)phenyl)boronic acid
[3-Fluor-4-(isopropylsulfamoyl)phenyl]borsäure [German] [ACD/IUPAC Name]
[3-Fluoro-4-(isopropylsulfamoyl)phenyl]boronic acid [ACD/IUPAC Name]
1704096-35-4 [RN]
Acide [3-fluoro-4-(isopropylsulfamoyl)phényl]boronique [French] [ACD/IUPAC Name]
Boronic acid, B-[3-fluoro-4-[[(1-methylethyl)amino]sulfonyl]phenyl]- [ACD/Index Name]
{3-FLUORO-4-[(PROPAN-2-YL)SULFAMOYL]PHENYL}BORONIC ACID
3-FLUORO-4-(ISOPROPYLSULFAMOYL)PHENYLBORONIC ACID
MFCD28805567

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

    Density: 1.4±0.1 g/cm3
    Boiling Point: 426.3±55.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.1 mmHg at 25°C
    Enthalpy of Vaporization: 71.8±3.0 kJ/mol
    Flash Point: 211.6±31.5 °C
    Index of Refraction: 1.545
    Molar Refractivity: 59.7±0.4 cm3
    #H bond acceptors: 5
    #H bond donors: 3
    #Freely Rotating Bonds: 4
    #Rule of 5 Violations: 0
    ACD/LogP: 1.03
    ACD/LogD (pH 5.5): 1.16
    ACD/BCF (pH 5.5): 4.47
    ACD/KOC (pH 5.5): 100.50
    ACD/LogD (pH 7.4): 0.57
    ACD/BCF (pH 7.4): 1.13
    ACD/KOC (pH 7.4): 25.53
    Polar Surface Area: 95 Å2
    Polarizability: 23.7±0.5 10-24cm3
    Surface Tension: 50.4±5.0 dyne/cm
    Molar Volume: 188.9±5.0 cm3

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