ChemSpider 2D Image | 3-(3-bromophenyl)-1H-pyrazole-5-carboxylic acid | C10H7BrN2O2

3-(3-bromophenyl)-1H-pyrazole-5-carboxylic acid

  • Molecular FormulaC10H7BrN2O2
  • Average mass267.079 Da
  • Monoisotopic mass265.969086 Da
  • ChemSpider ID21540842

More details:

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

1135821-47-4 [RN]
1H-Pyrazole-3-carboxylic acid, 5-(3-bromophenyl)- [ACD/Index Name]
1H-pyrazole-5-carboxylic acid, 3-(3-bromophenyl)-
3-(3-bromophenyl)-1H-pyrazole-5-carboxylic acid
5-(3-Bromophenyl)-1H-pyrazole-3-carboxylic acid [ACD/IUPAC Name]
5-(3-Bromphenyl)-1H-pyrazol-3-carbonsäure [German] [ACD/IUPAC Name]
Acide 5-(3-bromophényl)-1H-pyrazole-3-carboxylique [French] [ACD/IUPAC Name]
[1135821-47-4] [RN]
113808-86-9 [RN]
3-(3-bromophenyl)-1{H}-pyrazole-5-carboxylic 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: 521.5±40.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.4 mmHg at 25°C
    Enthalpy of Vaporization: 83.7±3.0 kJ/mol
    Flash Point: 269.2±27.3 °C
    Index of Refraction: 1.671
    Molar Refractivity: 58.0±0.3 cm3
    #H bond acceptors: 4
    #H bond donors: 2
    #Freely Rotating Bonds: 2
    #Rule of 5 Violations: 0
    ACD/LogP: 2.56
    ACD/LogD (pH 5.5): 1.42
    ACD/BCF (pH 5.5): 3.01
    ACD/KOC (pH 5.5): 27.93
    ACD/LogD (pH 7.4): -0.01
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 1.04
    Polar Surface Area: 66 Å2
    Polarizability: 23.0±0.5 10-24cm3
    Surface Tension: 69.2±3.0 dyne/cm
    Molar Volume: 155.0±3.0 cm3

    Click to predict properties on the Chemicalize site


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