ChemSpider 2D Image | 6-Phenyl-5H-pyrrolo[3,2-d]pyrimidine | C12H9N3

6-Phenyl-5H-pyrrolo[3,2-d]pyrimidine

  • Molecular FormulaC12H9N3
  • Average mass195.220 Da
  • Monoisotopic mass195.079651 Da
  • ChemSpider ID28534731

More details:

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

1173285-69-2 [RN]
5H-Pyrrolo[3,2-d]pyrimidine, 6-phenyl- [ACD/Index Name]
6-Phenyl-5H-pyrrolo[3,2-d]pyrimidin [German] [ACD/IUPAC Name]
6-Phenyl-5H-pyrrolo[3,2-d]pyrimidine [ACD/IUPAC Name]
6-Phényl-5H-pyrrolo[3,2-d]pyrimidine [French] [ACD/IUPAC Name]
[1173285-69-2] [RN]
2-Cyanopyrimidine-5-boronic acid pinacol ester
MFCD18762022 [MDL number]

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: 1.3±0.1 g/cm3
    Boiling Point: 416.9±25.0 °C at 760 mmHg
    Vapour Pressure: 0.0±0.9 mmHg at 25°C
    Enthalpy of Vaporization: 64.4±3.0 kJ/mol
    Flash Point: 200.1±16.1 °C
    Index of Refraction: 1.699
    Molar Refractivity: 59.3±0.3 cm3
    #H bond acceptors: 3
    #H bond donors: 1
    #Freely Rotating Bonds: 1
    #Rule of 5 Violations: 0
    ACD/LogP: 2.11
    ACD/LogD (pH 5.5): 2.44
    ACD/BCF (pH 5.5): 41.66
    ACD/KOC (pH 5.5): 494.36
    ACD/LogD (pH 7.4): 2.47
    ACD/BCF (pH 7.4): 44.04
    ACD/KOC (pH 7.4): 522.63
    Polar Surface Area: 42 Å2
    Polarizability: 23.5±0.5 10-24cm3
    Surface Tension: 62.8±3.0 dyne/cm
    Molar Volume: 153.6±3.0 cm3

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