ChemSpider 2D Image | 1-(adamantan-1-yl)-4-bromopyrazole-3-carboxylic acid | C14H17BrN2O2

1-(adamantan-1-yl)-4-bromopyrazole-3-carboxylic acid

  • Molecular FormulaC14H17BrN2O2
  • Average mass325.201 Da
  • Monoisotopic mass324.047333 Da
  • ChemSpider ID24649344

More details:

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

1-(Adamantan-1-yl)-4-brom-1H-pyrazol-3-carbonsäure [German] [ACD/IUPAC Name]
1-(Adamantan-1-yl)-4-bromo-1H-pyrazole-3-carboxylic acid [ACD/IUPAC Name]
1-(adamantan-1-yl)-4-bromopyrazole-3-carboxylic acid
1H-Pyrazole-3-carboxylic acid, 4-bromo-1-tricyclo[3.3.1.13,7]dec-1-yl- [ACD/Index Name]
444010-37-1 [RN]
Acide 1-(adamantan-1-yl)-4-bromo-1H-pyrazole-3-carboxylique [French] [ACD/IUPAC Name]
1-(1-adamantyl)-4-bromo-1H-pyrazole-3-carboxylic acid
1-(1-adamantyl)-4-bromopyrazole-3-carboxylic acid
1-(1-adamantyl)-4-bromo-pyrazole-3-carboxylic acid
1-adamantanyl-4-bromopyrazole-3-carboxylic acid
More...

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

    Density: 1.9±0.1 g/cm3
    Boiling Point: 471.1±30.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.2 mmHg at 25°C
    Enthalpy of Vaporization: 77.3±3.0 kJ/mol
    Flash Point: 238.7±24.6 °C
    Index of Refraction: 1.802
    Molar Refractivity: 73.7±0.5 cm3
    #H bond acceptors: 4
    #H bond donors: 1
    #Freely Rotating Bonds: 2
    #Rule of 5 Violations: 0
    ACD/LogP: 3.13
    ACD/LogD (pH 5.5): 1.01
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 5.70
    ACD/LogD (pH 7.4): 0.45
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 1.55
    Polar Surface Area: 55 Å2
    Polarizability: 29.2±0.5 10-24cm3
    Surface Tension: 71.1±7.0 dyne/cm
    Molar Volume: 172.0±7.0 cm3

    Click to predict properties on the Chemicalize site


    Advertisement