Found 2169 results

Search term: MF = 'C_{11}H_{9}BrN_{2}O_{2}'
ChemSpider 2D Image | 1-(3-Bromobenzyl)-1H-pyrazole-4-carboxylic acid | C11H9BrN2O2

1-(3-Bromobenzyl)-1H-pyrazole-4-carboxylic acid

  • Molecular FormulaC11H9BrN2O2
  • Average mass281.105 Da
  • Monoisotopic mass279.984741 Da
  • ChemSpider ID26499709

More details:

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

1-(3-Brombenzyl)-1H-pyrazol-4-carbonsäure [German] [ACD/IUPAC Name]
1-(3-Bromobenzyl)-1H-pyrazole-4-carboxylic acid [ACD/IUPAC Name]
1-[(3-BROMOPHENYL)METHYL]-1H-PYRAZOLE-4-CARBOXYLIC ACID
1-[(3-BROMOPHENYL)METHYL]PYRAZOLE-4-CARBOXYLIC ACID
1154882-54-8 [RN]
1H-Pyrazole-4-carboxylic acid, 1-[(3-bromophenyl)methyl]- [ACD/Index Name]
Acide 1-(3-bromobenzyl)-1H-pyrazole-4-carboxylique [French] [ACD/IUPAC Name]
1-(3-Bromo-benzyl)-1H-pyrazole-4-carboxylic acid
95%
KS-6923
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    Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

    Density: 1.6±0.1 g/cm3
    Boiling Point: 480.4±30.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.3 mmHg at 25°C
    Enthalpy of Vaporization: 78.5±3.0 kJ/mol
    Flash Point: 244.3±24.6 °C
    Index of Refraction: 1.656
    Molar Refractivity: 64.4±0.5 cm3
    #H bond acceptors: 4
    #H bond donors: 1
    #Freely Rotating Bonds: 3
    #Rule of 5 Violations: 0
    ACD/LogP: 2.65
    ACD/LogD (pH 5.5): 1.74
    ACD/BCF (pH 5.5): 5.87
    ACD/KOC (pH 5.5): 50.77
    ACD/LogD (pH 7.4): 0.21
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 1.48
    Polar Surface Area: 55 Å2
    Polarizability: 25.5±0.5 10-24cm3
    Surface Tension: 55.4±7.0 dyne/cm
    Molar Volume: 175.3±7.0 cm3

    Click to predict properties on the Chemicalize site


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