ChemSpider 2D Image | Isoxazole-4-boronic acid | C3H4BNO3

Isoxazole-4-boronic acid

  • Molecular FormulaC3H4BNO3
  • Average mass112.880 Da
  • Monoisotopic mass113.028427 Da
  • ChemSpider ID23346857

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

1,2-Oxazol-4-ylboronic acid [ACD/IUPAC Name]
1,2-Oxazol-4-ylborsäure [German] [ACD/IUPAC Name]
1008139-25-0 [RN]
Acide 1,2-oxazol-4-ylboronique [French] [ACD/IUPAC Name]
Boronic acid, B-4-isoxazolyl- [ACD/Index Name]
Isoxazol-4-ylboronic acid
Isoxazole-4-boronic acid
MFCD06657892 [MDL number]
"1,2-OXAZOL-4-YLBORONIC ACID"
(1,2-oxazol-4-yl)boronic acid
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

CCRIS 4693 [DBID]

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

    Density: 1.4±0.1 g/cm3
    Boiling Point: 337.4±34.0 °C at 760 mmHg
    Vapour Pressure: 0.0±0.8 mmHg at 25°C
    Enthalpy of Vaporization: 61.3±3.0 kJ/mol
    Flash Point: 157.9±25.7 °C
    Index of Refraction: 1.487
    Molar Refractivity: 23.6±0.4 cm3
    #H bond acceptors: 4
    #H bond donors: 2
    #Freely Rotating Bonds: 1
    #Rule of 5 Violations: 0
    ACD/LogP: -0.55
    ACD/LogD (pH 5.5): -0.10
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 19.72
    ACD/LogD (pH 7.4): -1.16
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 1.69
    Polar Surface Area: 66 Å2
    Polarizability: 9.3±0.5 10-24cm3
    Surface Tension: 54.3±5.0 dyne/cm
    Molar Volume: 82.0±5.0 cm3

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