ChemSpider 2D Image | 6-Chloro-1H-pyrazolo[3,4-d]pyrimidine | C5H3ClN4

6-Chloro-1H-pyrazolo[3,4-d]pyrimidine

  • Molecular FormulaC5H3ClN4
  • Average mass154.557 Da
  • Monoisotopic mass154.004623 Da
  • ChemSpider ID24583376

More details:

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

1H-Pyrazolo[3,4-d]pyrimidine, 6-chloro- [ACD/Index Name]
23002-51-9 [RN]
6-Chlor-1H-pyrazolo[3,4-d]pyrimidin [German] [ACD/IUPAC Name]
6-Chloro-1H-pyrazolo[3,4-d]pyrimidine [ACD/IUPAC Name]
6-Chloro-1H-pyrazolo[3,4-d]pyrimidine [French] [ACD/IUPAC Name]
[23002-51-9] [RN]
6-Chloro-1(2)H-pyrazolo[3,4-d]pyrimidine
6-chloro-1h-pyrazolo(3,4-d)pyrimidine
6-chloro-1h-pyrazolo3,4-dpyrimidine
6-chloro-2H-pyrazolo[3,4-d]pyrimidine
More...

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: 1.7±0.1 g/cm3
    Boiling Point: 305.2±24.0 °C at 760 mmHg
    Vapour Pressure: 0.0±0.6 mmHg at 25°C
    Enthalpy of Vaporization: 52.4±3.0 kJ/mol
    Flash Point: 167.0±8.5 °C
    Index of Refraction: 1.740
    Molar Refractivity: 37.7±0.3 cm3
    #H bond acceptors: 4
    #H bond donors: 1
    #Freely Rotating Bonds: 0
    #Rule of 5 Violations: 0
    ACD/LogP: 0.52
    ACD/LogD (pH 5.5): 0.26
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 31.16
    ACD/LogD (pH 7.4): -0.70
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 3.40
    Polar Surface Area: 54 Å2
    Polarizability: 14.9±0.5 10-24cm3
    Surface Tension: 91.3±3.0 dyne/cm
    Molar Volume: 93.5±3.0 cm3

    Click to predict properties on the Chemicalize site


    Advertisement