ChemSpider 2D Image | Benzocyclobutene-4-boronicacid | C8H7BO2

Benzocyclobutene-4-boronicacid

  • Molecular FormulaC8H7BO2
  • Average mass145.951 Da
  • Monoisotopic mass146.053909 Da
  • ChemSpider ID13867682

More details:

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

195730-31-5 [RN]
Acide bicyclo[4.2.0]octa-1,3,5,7-tétraén-3-ylboronique [French] [ACD/IUPAC Name]
Benzocyclobutene-4-boronic acid
Benzocyclobutene-4-boronicacid
Bicyclo[4.2.0]octa-1,3,5,7-tetraen-3-ylboronic acid [ACD/IUPAC Name]
Bicyclo[4.2.0]octa-1,3,5,7-tetraen-3-ylborsäure [German] [ACD/IUPAC Name]
Boronic acid, B-bicyclo[4.2.0]octa-1,3,5,7-tetraen-3-yl- [ACD/Index Name]
[195730-31-5] [RN]
4-bicyclo[4.2.0]octa-1(6),2,4,7-tetraenylboronic acid
B-?bicyclo[4.2.0]?octa-?1,?3,?5-?trien-?3-?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: 1.3±0.1 g/cm3
    Boiling Point: 370.4±35.0 °C at 760 mmHg
    Vapour Pressure: 0.0±0.9 mmHg at 25°C
    Enthalpy of Vaporization: 65.1±3.0 kJ/mol
    Flash Point: 177.8±25.9 °C
    Index of Refraction: 1.629
    Molar Refractivity: 40.4±0.4 cm3
    #H bond acceptors: 2
    #H bond donors: 2
    #Freely Rotating Bonds: 1
    #Rule of 5 Violations: 0
    ACD/LogP: 2.40
    ACD/LogD (pH 5.5): 2.12
    ACD/BCF (pH 5.5): 23.98
    ACD/KOC (pH 5.5): 338.24
    ACD/LogD (pH 7.4): 2.09
    ACD/BCF (pH 7.4): 22.31
    ACD/KOC (pH 7.4): 314.61
    Polar Surface Area: 40 Å2
    Polarizability: 16.0±0.5 10-24cm3
    Surface Tension: 52.6±5.0 dyne/cm
    Molar Volume: 113.8±5.0 cm3

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