ChemSpider 2D Image | 6-Bromo-1,2,4-benzotriazine-3-carboxylic acid | C8H4BrN3O2

6-Bromo-1,2,4-benzotriazine-3-carboxylic acid

  • Molecular FormulaC8H4BrN3O2
  • Average mass254.040 Da
  • Monoisotopic mass252.948685 Da
  • ChemSpider ID31035730

More details:

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

1,2,4-Benzotriazine-3-carboxylic acid, 6-bromo- [ACD/Index Name]
1354512-00-7 [RN]
6-Brom-1,2,4-benzotriazin-3-carbonsäure [German] [ACD/IUPAC Name]
6-Bromo-1,2,4-benzotriazine-3-carboxylic acid [ACD/IUPAC Name]
Acide 6-bromo-1,2,4-benzotriazine-3-carboxylique [French] [ACD/IUPAC Name]
6-Bromobenzo[e][1,2,4]triazine-3-carboxylic acid
AGN-PC-0JIZ83
AKOS023821382
MFCD26527033
MolPort-020-239-053
More...

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

    Density: 1.9±0.1 g/cm3
    Boiling Point: 495.9±37.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.3 mmHg at 25°C
    Enthalpy of Vaporization: 80.4±3.0 kJ/mol
    Flash Point: 253.7±26.5 °C
    Index of Refraction: 1.736
    Molar Refractivity: 53.0±0.3 cm3
    #H bond acceptors: 5
    #H bond donors: 1
    #Freely Rotating Bonds: 1
    #Rule of 5 Violations: 0
    ACD/LogP: 0.85
    ACD/LogD (pH 5.5): -1.46
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 1.00
    ACD/LogD (pH 7.4): -1.67
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 1.00
    Polar Surface Area: 76 Å2
    Polarizability: 21.0±0.5 10-24cm3
    Surface Tension: 89.8±3.0 dyne/cm
    Molar Volume: 131.9±3.0 cm3

    Click to predict properties on the Chemicalize site


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