ChemSpider 2D Image | CHEMBRDG-BB 9071914 | C8H6BrNO3

CHEMBRDG-BB 9071914

  • Molecular FormulaC8H6BrNO3
  • Average mass244.042 Da
  • Monoisotopic mass242.953094 Da
  • ChemSpider ID21509768

More details:

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

1,3-Benzodioxole-5-carboxamide, 6-bromo- [ACD/Index Name]
6-Brom-1,3-benzodioxol-5-carboxamid [German] [ACD/IUPAC Name]
6-Bromo-1,3-benzodioxole-5-carboxamide [ACD/IUPAC Name]
6-Bromo-1,3-benzodioxole-5-carboxamide [French] [ACD/IUPAC Name]
6-bromo-2H-1,3-benzodioxole-5-carboxamide
6-Bromobenzo[d][1,3]dioxole-5-carboxamide
82463-74-9 [RN]
CHEMBRDG-BB 9071914
MFCD08753029 [MDL number]

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

    Density: 1.8±0.1 g/cm3
    Boiling Point: 292.1±40.0 °C at 760 mmHg
    Vapour Pressure: 0.0±0.6 mmHg at 25°C
    Enthalpy of Vaporization: 53.2±3.0 kJ/mol
    Flash Point: 130.4±27.3 °C
    Index of Refraction: 1.644
    Molar Refractivity: 49.0±0.3 cm3
    #H bond acceptors: 4
    #H bond donors: 2
    #Freely Rotating Bonds: 1
    #Rule of 5 Violations: 0
    ACD/LogP: 0.28
    ACD/LogD (pH 5.5): 1.20
    ACD/BCF (pH 5.5): 4.78
    ACD/KOC (pH 5.5): 106.60
    ACD/LogD (pH 7.4): 1.20
    ACD/BCF (pH 7.4): 4.78
    ACD/KOC (pH 7.4): 106.60
    Polar Surface Area: 62 Å2
    Polarizability: 19.4±0.5 10-24cm3
    Surface Tension: 66.9±3.0 dyne/cm
    Molar Volume: 135.5±3.0 cm3

    Click to predict properties on the Chemicalize site


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