ChemSpider 2D Image | (3-Chloro-2-(hydroxymethyl)phenyl)boronic acid | C7H8BClO3

(3-Chloro-2-(hydroxymethyl)phenyl)boronic acid

  • Molecular FormulaC7H8BClO3
  • Average mass186.401 Da
  • Monoisotopic mass186.025497 Da
  • ChemSpider ID30649498

More details:

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

(3-Chloro-2-(hydroxymethyl)phenyl)boronic acid
[3-Chlor-2-(hydroxymethyl)phenyl]borsäure [German] [ACD/IUPAC Name]
[3-Chloro-2-(hydroxymethyl)phenyl]boronic acid [ACD/IUPAC Name]
1451393-57-9 [RN]
Acide [3-chloro-2-(hydroxyméthyl)phényl]boronique [French] [ACD/IUPAC Name]
Boronic acid, B-[3-chloro-2-(hydroxymethyl)phenyl]- [ACD/Index Name]
[1451393-57-9] [RN]
3-CHLORO-2-(HYDROXYMETHYL)PHENYLBORONIC ACID
3-Chloro-2-hydroxymethylphenylboronic acid
MFCD16295244

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

    Density: 1.4±0.1 g/cm3
    Boiling Point: 414.4±55.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.0 mmHg at 25°C
    Enthalpy of Vaporization: 70.4±3.0 kJ/mol
    Flash Point: 204.4±31.5 °C
    Index of Refraction: 1.586
    Molar Refractivity: 44.3±0.4 cm3
    #H bond acceptors: 3
    #H bond donors: 3
    #Freely Rotating Bonds: 2
    #Rule of 5 Violations: 0
    ACD/LogP: 1.00
    ACD/LogD (pH 5.5): 1.12
    ACD/BCF (pH 5.5): 4.18
    ACD/KOC (pH 5.5): 96.68
    ACD/LogD (pH 7.4): 0.91
    ACD/BCF (pH 7.4): 2.59
    ACD/KOC (pH 7.4): 59.99
    Polar Surface Area: 61 Å2
    Polarizability: 17.6±0.5 10-24cm3
    Surface Tension: 57.9±5.0 dyne/cm
    Molar Volume: 132.0±5.0 cm3

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