ChemSpider 2D Image | 4-(7-chloro-1-methyl-1,3-benzodiazol-2-yl)butanoic acid | C12H13ClN2O2

4-(7-chloro-1-methyl-1,3-benzodiazol-2-yl)butanoic acid

  • Molecular FormulaC12H13ClN2O2
  • Average mass252.697 Da
  • Monoisotopic mass252.066559 Da
  • ChemSpider ID21436644

More details:

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

1048922-59-3 [RN]
1H-Benzimidazole-2-butanoic acid, 7-chloro-1-methyl- [ACD/Index Name]
4-(7-Chlor-1-methyl-1H-benzimidazol-2-yl)butansäure [German] [ACD/IUPAC Name]
4-(7-chloro-1-methyl-1,3-benzodiazol-2-yl)butanoic acid
4-(7-chloro-1-methyl-1h-1,3-benzodiazol-2-yl)butanoic acid
4-(7-Chloro-1-methyl-1H-benzimidazol-2-yl)butanoic acid [ACD/IUPAC Name]
Acide 4-(7-chloro-1-méthyl-1H-benzimidazol-2-yl)butanoïque [French] [ACD/IUPAC Name]
4-(7-chloro-1-methyl-1H-benzo[d]imidazol-2-yl)butanoic acid
4-(7-Chloro-1-methyl-1H-benzoimidazol-2-yl)-butyric acid
4-(7-chloro-1-methylbenzimidazol-2-yl)butanoic acid
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    Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

    Density: 1.3±0.1 g/cm3
    Boiling Point: 488.7±25.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.3 mmHg at 25°C
    Enthalpy of Vaporization: 79.5±3.0 kJ/mol
    Flash Point: 249.3±23.2 °C
    Index of Refraction: 1.621
    Molar Refractivity: 65.9±0.5 cm3
    #H bond acceptors: 4
    #H bond donors: 1
    #Freely Rotating Bonds: 4
    #Rule of 5 Violations: 0
    ACD/LogP: 2.61
    ACD/LogD (pH 5.5): 1.53
    ACD/BCF (pH 5.5): 5.01
    ACD/KOC (pH 5.5): 58.37
    ACD/LogD (pH 7.4): -0.19
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 1.10
    Polar Surface Area: 55 Å2
    Polarizability: 26.1±0.5 10-24cm3
    Surface Tension: 48.6±7.0 dyne/cm
    Molar Volume: 187.3±7.0 cm3

    Click to predict properties on the Chemicalize site


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