ChemSpider 2D Image | 1-(2-Bromophenyl)-5-(1H-pyrrol-1-yl)-1H-pyrazole-4-carboxylic acid | C14H10BrN3O2

1-(2-Bromophenyl)-5-(1H-pyrrol-1-yl)-1H-pyrazole-4-carboxylic acid

  • Molecular FormulaC14H10BrN3O2
  • Average mass332.152 Da
  • Monoisotopic mass330.995636 Da
  • ChemSpider ID25082800

More details:

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

1-(2-Bromophenyl)-5-(1H-pyrrol-1-yl)-1H-pyrazole-4-carboxylic acid [ACD/IUPAC Name]
1-(2-Bromphenyl)-5-(1H-pyrrol-1-yl)-1H-pyrazol-4-carbonsäure [German] [ACD/IUPAC Name]
1H-Pyrazole-4-carboxylic acid, 1-(2-bromophenyl)-5-(1H-pyrrol-1-yl)- [ACD/Index Name]
Acide 1-(2-bromophényl)-5-(1H-pyrrol-1-yl)-1H-pyrazole-4-carboxylique [French] [ACD/IUPAC Name]
1-(2-BROMOPHENYL)-5-(PYRROL-1-YL)PYRAZOLE-4-CARBOXYLIC ACID
1-(2-Bromo-phenyl)-5-pyrrol-1-yl-1H-pyrazole-4-carboxylic acid
1-(2-bromophenyl)-5-pyrrol-1-ylpyrazole-4-carboxylic acid
1232693-52-5 [RN]
MFCD17430365 [MDL number]
VS-11526

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

    Density: 1.6±0.1 g/cm3
    Boiling Point: 514.5±45.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.4 mmHg at 25°C
    Enthalpy of Vaporization: 82.8±3.0 kJ/mol
    Flash Point: 264.9±28.7 °C
    Index of Refraction: 1.701
    Molar Refractivity: 79.6±0.5 cm3
    #H bond acceptors: 5
    #H bond donors: 1
    #Freely Rotating Bonds: 3
    #Rule of 5 Violations: 0
    ACD/LogP: 4.20
    ACD/LogD (pH 5.5): 0.81
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 3.45
    ACD/LogD (pH 7.4): 0.46
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 1.57
    Polar Surface Area: 60 Å2
    Polarizability: 31.6±0.5 10-24cm3
    Surface Tension: 60.1±7.0 dyne/cm
    Molar Volume: 205.9±7.0 cm3

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