ChemSpider 2D Image | (4E,5Z)-N,N'-Dihydroxy-6,7-dihydro-2,1,3-benzoxadiazole-4,5-diimine | C6H6N4O3

(4E,5Z)-N,N'-Dihydroxy-6,7-dihydro-2,1,3-benzoxadiazole-4,5-diimine

  • Molecular FormulaC6H6N4O3
  • Average mass182.137 Da
  • Monoisotopic mass182.043991 Da
  • ChemSpider ID17729245

  • Double-bond stereo - Double-bond stereo

More details:

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

(4E,5Z)-N,N'-Dihydroxy-6,7-dihydro-2,1,3-benzoxadiazol-4,5-diimin [German] [ACD/IUPAC Name]
(4E,5Z)-N,N'-Dihydroxy-6,7-dihydro-2,1,3-benzoxadiazole-4,5-diimine [ACD/IUPAC Name]
(4E,5Z)-N,N'-Dihydroxy-6,7-dihydro-2,1,3-benzoxadiazole-4,5-diimine [French] [ACD/IUPAC Name]
2,1,3-Benzoxadiazole-4,5-dione, 6,7-dihydro-, dioxime, (4E,5Z)- [ACD/Index Name]
(4Z,5Z)-6,7-dihydrobenzo[c][1,2,5]oxadiazole-4,5-dione dioxime
(4Z,5Z)-N,N'-Dihydroxy-6,7-dihydro-2,1,3-benzoxadiazole-4,5-diimine [ACD/IUPAC Name]
2,1,3-Benzoxadiazole-4,5-dione, 6,7-dihydro-, dioxime, (4Z,5Z)- [ACD/Index Name]
330982-37-1 [RN]

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

    Density: 2.0±0.1 g/cm3
    Boiling Point: 479.5±55.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.3 mmHg at 25°C
    Enthalpy of Vaporization: 78.3±3.0 kJ/mol
    Flash Point: 243.8±31.5 °C
    Index of Refraction: 1.830
    Molar Refractivity: 40.4±0.5 cm3
    #H bond acceptors: 7
    #H bond donors: 2
    #Freely Rotating Bonds: 0
    #Rule of 5 Violations: 0
    ACD/LogP: -0.76
    ACD/LogD (pH 5.5): 0.53
    ACD/BCF (pH 5.5): 1.48
    ACD/KOC (pH 5.5): 46.00
    ACD/LogD (pH 7.4): 0.29
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 26.84
    Polar Surface Area: 104 Å2
    Polarizability: 16.0±0.5 10-24cm3
    Surface Tension: 93.2±7.0 dyne/cm
    Molar Volume: 92.0±7.0 cm3

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