ChemSpider 2D Image | (4-fluoro-3-(isopropoxymethyl)phenyl)boronic acid | C10H14BFO3

(4-fluoro-3-(isopropoxymethyl)phenyl)boronic acid

  • Molecular FormulaC10H14BFO3
  • Average mass212.026 Da
  • Monoisotopic mass212.102005 Da
  • ChemSpider ID34980191

More details:

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

(4-fluoro-3-(isopropoxymethyl)phenyl)boronic acid
[4-Fluor-3-(isopropoxymethyl)phenyl]borsäure [German] [ACD/IUPAC Name]
[4-Fluoro-3-(isopropoxymethyl)phenyl]boronic acid [ACD/IUPAC Name]
1704063-98-8 [RN]
Acide [4-fluoro-3-(isopropoxyméthyl)phényl]boronique [French] [ACD/IUPAC Name]
Boronic acid, B-[4-fluoro-3-[(1-methylethoxy)methyl]phenyl]- [ACD/Index Name]
{4-FLUORO-3-[(PROPAN-2-YLOXY)METHYL]PHENYL}BORONIC ACID
4-fluoro-3-(isopropoxymethyl)phenylboronic acid
MFCD28805682

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

    Density: 1.2±0.1 g/cm3
    Boiling Point: 321.2±52.0 °C at 760 mmHg
    Vapour Pressure: 0.0±0.7 mmHg at 25°C
    Enthalpy of Vaporization: 59.4±3.0 kJ/mol
    Flash Point: 148.1±30.7 °C
    Index of Refraction: 1.494
    Molar Refractivity: 53.6±0.4 cm3
    #H bond acceptors: 3
    #H bond donors: 2
    #Freely Rotating Bonds: 4
    #Rule of 5 Violations: 0
    ACD/LogP: 2.26
    ACD/LogD (pH 5.5): 2.20
    ACD/BCF (pH 5.5): 27.49
    ACD/KOC (pH 5.5): 372.90
    ACD/LogD (pH 7.4): 2.16
    ACD/BCF (pH 7.4): 25.12
    ACD/KOC (pH 7.4): 340.74
    Polar Surface Area: 50 Å2
    Polarizability: 21.3±0.5 10-24cm3
    Surface Tension: 37.5±5.0 dyne/cm
    Molar Volume: 184.2±5.0 cm3

    Click to predict properties on the Chemicalize site


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