ChemSpider 2D Image | 3-(1,2,4-Triazol-1-yl)benzoic Acid | C9H7N3O2

3-(1,2,4-Triazol-1-yl)benzoic Acid

  • Molecular FormulaC9H7N3O2
  • Average mass189.171 Da
  • Monoisotopic mass189.053833 Da
  • ChemSpider ID11235521

More details:

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

167626-64-4 [RN]
3-(1,2,4-Triazol-1-yl)benzoic Acid
3-(1H-1,2,4-Triazol-1-yl)benzoesäure [German] [ACD/IUPAC Name]
3-(1H-1,2,4-triazol-1-yl)benzoic Acid [ACD/IUPAC Name]
Acide 3-(1H-1,2,4-triazol-1-yl)benzoïque [French] [ACD/IUPAC Name]
Benzoic acid, 3-(1H-1,2,4-triazol-1-yl)- [ACD/Index Name]
[167626-64-4] [RN]
1-(3-Carboxyphenyl)-1H-1,2,4-triazole
3-(1,2,4-Triazol-1-yl)benzoicacid
3-(1,2,4-triazolyl)benzoic acid
More...

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

    Density: 1.4±0.1 g/cm3
    Boiling Point: 449.9±47.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.2 mmHg at 25°C
    Enthalpy of Vaporization: 74.7±3.0 kJ/mol
    Flash Point: 225.9±29.3 °C
    Index of Refraction: 1.673
    Molar Refractivity: 50.7±0.5 cm3
    #H bond acceptors: 5
    #H bond donors: 1
    #Freely Rotating Bonds: 2
    #Rule of 5 Violations: 0
    ACD/LogP: 1.00
    ACD/LogD (pH 5.5): -0.33
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 3.04
    ACD/LogD (pH 7.4): -1.75
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 1.00
    Polar Surface Area: 68 Å2
    Polarizability: 20.1±0.5 10-24cm3
    Surface Tension: 60.6±7.0 dyne/cm
    Molar Volume: 135.2±7.0 cm3

    Click to predict properties on the Chemicalize site


    Advertisement