ChemSpider 2D Image | 5-(3-Chlorophenyl)-1,2,4-oxadiazole-3-carboxylic acid | C9H5ClN2O3

5-(3-Chlorophenyl)-1,2,4-oxadiazole-3-carboxylic acid

  • Molecular FormulaC9H5ClN2O3
  • Average mass224.601 Da
  • Monoisotopic mass223.998871 Da
  • ChemSpider ID28534760

More details:

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

1,2,4-Oxadiazole-3-carboxylic acid, 5-(3-chlorophenyl)- [ACD/Index Name]
1260774-15-9 [RN]
5-(3-Chlorophenyl)-1,2,4-oxadiazole-3-carboxylic acid [ACD/IUPAC Name]
5-(3-Chlorphenyl)-1,2,4-oxadiazol-3-carbonsäure [German] [ACD/IUPAC Name]
Acide 5-(3-chlorophényl)-1,2,4-oxadiazole-3-carboxylique [French] [ACD/IUPAC Name]
[1260774-15-9] [RN]
5-(3-Chlorophenyl)-1,2,4-oxadiazole-3-carboxylicacid
99446-80-7 [RN]
MFCD09027677 [MDL number]

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

CCRIS 4693 [DBID]

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

    Density: 1.5±0.1 g/cm3
    Boiling Point: 438.6±47.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.1 mmHg at 25°C
    Enthalpy of Vaporization: 73.3±3.0 kJ/mol
    Flash Point: 219.1±29.3 °C
    Index of Refraction: 1.605
    Molar Refractivity: 51.2±0.3 cm3
    #H bond acceptors: 5
    #H bond donors: 1
    #Freely Rotating Bonds: 2
    #Rule of 5 Violations: 0
    ACD/LogP: 2.24
    ACD/LogD (pH 5.5): -0.51
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 1.00
    ACD/LogD (pH 7.4): -1.00
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 1.00
    Polar Surface Area: 76 Å2
    Polarizability: 20.3±0.5 10-24cm3
    Surface Tension: 64.6±3.0 dyne/cm
    Molar Volume: 148.4±3.0 cm3

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