ChemSpider 2D Image | 4-[(2-Chloro-1H-purin-6-yl)oxy]benzoic acid | C12H7ClN4O3

4-[(2-Chloro-1H-purin-6-yl)oxy]benzoic acid

  • Molecular FormulaC12H7ClN4O3
  • Average mass290.662 Da
  • Monoisotopic mass290.020660 Da
  • ChemSpider ID26044115

More details:

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

4-[(2-Chlor-1H-purin-6-yl)oxy]benzoesäure [German] [ACD/IUPAC Name]
4-[(2-Chloro-1H-purin-6-yl)oxy]benzoic acid [ACD/IUPAC Name]
Acide 4-[(2-chloro-1H-purin-6-yl)oxy]benzoïque [French] [ACD/IUPAC Name]
Benzoic acid, 4-[(2-chloro-7H-purin-6-yl)oxy]- [ACD/Index Name]
1219542-52-5 [RN]
4-(2-Chloro-7H-purin-6-yloxy)-benzoic acid
4-[(2-chloro-7H-purin-6-yl)oxy]benzoic acid
4-[(2-CHLORO-9H-PURIN-6-YL)OXY]BENZOIC ACID
c12h7cln4o3

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

    Density: 1.6±0.1 g/cm3
    Boiling Point: 575.8±50.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.7 mmHg at 25°C
    Enthalpy of Vaporization: 90.7±3.0 kJ/mol
    Flash Point: 302.0±30.1 °C
    Index of Refraction: 1.738
    Molar Refractivity: 71.1±0.3 cm3
    #H bond acceptors: 7
    #H bond donors: 2
    #Freely Rotating Bonds: 3
    #Rule of 5 Violations: 0
    ACD/LogP: 2.40
    ACD/LogD (pH 5.5): 0.28
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 6.51
    ACD/LogD (pH 7.4): -1.15
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 1.00
    Polar Surface Area: 101 Å2
    Polarizability: 28.2±0.5 10-24cm3
    Surface Tension: 88.9±3.0 dyne/cm
    Molar Volume: 176.6±3.0 cm3

    Click to predict properties on the Chemicalize site


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