ChemSpider 2D Image | 5-Bromo-1H-pyrazole-3-carbaldehyde | C4H3BrN2O

5-Bromo-1H-pyrazole-3-carbaldehyde

  • Molecular FormulaC4H3BrN2O
  • Average mass174.983 Da
  • Monoisotopic mass173.942871 Da
  • ChemSpider ID27255846

More details:

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

1H-Pyrazole-3-carboxaldehyde, 5-bromo- [ACD/Index Name]
518357-37-4 [RN]
5-Brom-1H-pyrazol-3-carbaldehyd [German] [ACD/IUPAC Name]
5-Bromo-1H-pyrazole-3-carbaldehyde [ACD/IUPAC Name]
5-Bromo-1H-pyrazole-3-carbaldéhyde [French] [ACD/IUPAC Name]
[518357-37-4] [RN]
3-Bromo-1H-pyrazole-5-carbaldehyde
cis-3-Aminocyclobutanecarboxamide [ACD/IUPAC Name]
MFCD10697814 [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: 2.0±0.1 g/cm3
    Boiling Point: 354.3±22.0 °C at 760 mmHg
    Vapour Pressure: 0.0±0.8 mmHg at 25°C
    Enthalpy of Vaporization: 59.9±3.0 kJ/mol
    Flash Point: 168.1±22.3 °C
    Index of Refraction: 1.671
    Molar Refractivity: 33.2±0.3 cm3
    #H bond acceptors: 3
    #H bond donors: 1
    #Freely Rotating Bonds: 1
    #Rule of 5 Violations: 0
    ACD/LogP: 0.71
    ACD/LogD (pH 5.5): 0.97
    ACD/BCF (pH 5.5): 3.20
    ACD/KOC (pH 5.5): 80.02
    ACD/LogD (pH 7.4): 0.89
    ACD/BCF (pH 7.4): 2.66
    ACD/KOC (pH 7.4): 66.50
    Polar Surface Area: 46 Å2
    Polarizability: 13.2±0.5 10-24cm3
    Surface Tension: 69.6±3.0 dyne/cm
    Molar Volume: 88.8±3.0 cm3

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