ChemSpider 2D Image | 5-(1H-Tetrazol-1-yl)isophthalic acid | C9H6N4O4

5-(1H-Tetrazol-1-yl)isophthalic acid

  • Molecular FormulaC9H6N4O4
  • Average mass234.168 Da
  • Monoisotopic mass234.038910 Da
  • ChemSpider ID21786153

More details:

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

1,3-Benzenedicarboxylic acid, 5-(1H-tetrazol-1-yl)- [ACD/Index Name]
5-(1H-Tetrazol-1-yl)isophthalic acid [ACD/IUPAC Name]
5-(1H-Tetrazol-1-yl)isophthalsäure [German] [ACD/IUPAC Name]
Acide 5-(1H-tétrazol-1-yl)isophtalique [French] [ACD/IUPAC Name]
1,3-benzenedicarboxylic acid, 5-(1H-tetrazol-1-yl)
207730-78-7 [RN]
5-(1H-1,2,3,4-tetraazol-1-yl)isophthalic acid
5-(1H-1,2,3,4-tetrazol-1-yl)benzene-1,3-dicarboxylic acid
5-(1H-tetraazol-1-yl)isophthalic acid
5-(1H-tetrazol-1-yl)benzene-1,3-dicarboxylic acid
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    Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

    Density: 1.7±0.1 g/cm3
    Boiling Point: 600.1±65.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.8 mmHg at 25°C
    Enthalpy of Vaporization: 93.9±3.0 kJ/mol
    Flash Point: 316.7±34.3 °C
    Index of Refraction: 1.761
    Molar Refractivity: 55.4±0.5 cm3
    #H bond acceptors: 8
    #H bond donors: 2
    #Freely Rotating Bonds: 3
    #Rule of 5 Violations: 0
    ACD/LogP: 0.53
    ACD/LogD (pH 5.5): -3.05
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 1.00
    ACD/LogD (pH 7.4): -3.51
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 1.00
    Polar Surface Area: 118 Å2
    Polarizability: 22.0±0.5 10-24cm3
    Surface Tension: 84.7±7.0 dyne/cm
    Molar Volume: 134.6±7.0 cm3

    Click to predict properties on the Chemicalize site


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