ChemSpider 2D Image | 2-Chloro-1H-pyrrolo[2,3-d]pyrimidine-5-carbaldehyde | C7H4ClN3O

2-Chloro-1H-pyrrolo[2,3-d]pyrimidine-5-carbaldehyde

  • Molecular FormulaC7H4ClN3O
  • Average mass181.579 Da
  • Monoisotopic mass181.004288 Da
  • ChemSpider ID27249391

More details:

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

1367868-00-5 [RN]
2-Chlor-1H-pyrrolo[2,3-d]pyrimidin-5-carbaldehyd [German] [ACD/IUPAC Name]
2-Chloro-1H-pyrrolo[2,3-d]pyrimidine-5-carbaldehyde [ACD/IUPAC Name]
2-Chloro-1H-pyrrolo[2,3-d]pyrimidine-5-carbaldéhyde [French] [ACD/IUPAC Name]
2-chloro-7H-Pyrrolo[2,3-d]pyrimidine-5-carboxaldehyde
7H-Pyrrolo[2,3-d]pyrimidine-5-carboxaldehyde, 2-chloro- [ACD/Index Name]
MFCD22064589

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

    Density: 1.6±0.1 g/cm3
    Boiling Point:
    Vapour Pressure:
    Enthalpy of Vaporization:
    Flash Point:
    Index of Refraction: 1.767
    Molar Refractivity: 46.4±0.3 cm3
    #H bond acceptors: 4
    #H bond donors: 1
    #Freely Rotating Bonds: 1
    #Rule of 5 Violations: 0
    ACD/LogP: 1.03
    ACD/LogD (pH 5.5): 0.67
    ACD/BCF (pH 5.5): 1.90
    ACD/KOC (pH 5.5): 55.17
    ACD/LogD (pH 7.4): 0.67
    ACD/BCF (pH 7.4): 1.89
    ACD/KOC (pH 7.4): 54.91
    Polar Surface Area: 59 Å2
    Polarizability: 18.4±0.5 10-24cm3
    Surface Tension: 85.1±3.0 dyne/cm
    Molar Volume: 111.9±3.0 cm3

    Click to predict properties on the Chemicalize site


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