ChemSpider 2D Image | 7-Nitro-2H-1,2,4-benzothiadiazine 1,1-dioxide | C7H5N3O4S

7-Nitro-2H-1,2,4-benzothiadiazine 1,1-dioxide

  • Molecular FormulaC7H5N3O4S
  • Average mass227.197 Da
  • Monoisotopic mass227.000076 Da
  • ChemSpider ID28535288

More details:

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

1,1-Dioxyde de 7-nitro-2H-1,2,4-benzothiadiazine [French] [ACD/IUPAC Name]
37162-50-8 [RN]
4H-1,2,4-Benzothiadiazine, 7-nitro-, 1,1-dioxide [ACD/Index Name]
7-Nitro-2H-1,2,4-benzothiadiazin-1,1-dioxid [German] [ACD/IUPAC Name]
7-Nitro-2H-1,2,4-benzothiadiazine 1,1-dioxide [ACD/IUPAC Name]
7-Nitro-4H-benzo[e][1,2,4]thiadiazine 1,1-dioxide
[37162-50-8] [RN]
7-NITRO-1,1-DIOXO-1,4-DIHYDRO-1L6-BENZO[1,2,4]THIADIAZINE
7-Nitro-1λ6,2,4-benzothiadiazine-1,1(4H)-dione
7-Nitro-2H-benzo[e][1,2,4]thiadiazine 1,1-dioxide
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    Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

    Density: 1.8±0.1 g/cm3
    Boiling Point: 469.3±47.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.2 mmHg at 25°C
    Enthalpy of Vaporization: 73.2±3.0 kJ/mol
    Flash Point: 237.6±29.3 °C
    Index of Refraction: 1.769
    Molar Refractivity: 51.2±0.5 cm3
    #H bond acceptors: 7
    #H bond donors: 1
    #Freely Rotating Bonds: 1
    #Rule of 5 Violations: 0
    ACD/LogP: 0.56
    ACD/LogD (pH 5.5): 0.47
    ACD/BCF (pH 5.5): 1.35
    ACD/KOC (pH 5.5): 43.06
    ACD/LogD (pH 7.4): 0.39
    ACD/BCF (pH 7.4): 1.10
    ACD/KOC (pH 7.4): 35.23
    Polar Surface Area: 113 Å2
    Polarizability: 20.3±0.5 10-24cm3
    Surface Tension: 91.1±7.0 dyne/cm
    Molar Volume: 123.4±7.0 cm3

    Click to predict properties on the Chemicalize site


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