ChemSpider 2D Image | 3-Bromo-1H-pyrazole-5-carboxylic acid | C4H3BrN2O2

3-Bromo-1H-pyrazole-5-carboxylic acid

  • Molecular FormulaC4H3BrN2O2
  • Average mass190.983 Da
  • Monoisotopic mass189.937775 Da
  • ChemSpider ID27445237

More details:

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

1328893-16-8 [RN]
1H-Pyrazole-3-carboxylic acid, 5-bromo- [ACD/Index Name]
3-Bromo-1H-pyrazole-5-carboxylic acid
5-Brom-1H-pyrazol-3-carbonsäure [German] [ACD/IUPAC Name]
5-Bromo-1H-pyrazole-3-carboxylic acid [ACD/IUPAC Name]
Acide 5-bromo-1H-pyrazole-3-carboxylique [French] [ACD/IUPAC Name]
T5MNJ CVQ EE [WLN]
[1328893-16-8] [RN]
4-Benzyloxymethyl-2,2-dimethyl-[1,3]dioxolane;(R)-4-((Benzyloxy)methyl)-2,2-dimethyl-1,3-dioxolane
5-Bromopyrazole-3-carboxylic Acid
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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: 2.1±0.1 g/cm3
    Boiling Point: 458.8±30.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.2 mmHg at 25°C
    Enthalpy of Vaporization: 75.8±3.0 kJ/mol
    Flash Point: 231.3±24.6 °C
    Index of Refraction: 1.667
    Molar Refractivity: 33.4±0.3 cm3
    #H bond acceptors: 4
    #H bond donors: 2
    #Freely Rotating Bonds: 1
    #Rule of 5 Violations: 0
    ACD/LogP: 0.91
    ACD/LogD (pH 5.5): -0.63
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 1.46
    ACD/LogD (pH 7.4): -1.79
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 1.00
    Polar Surface Area: 66 Å2
    Polarizability: 13.2±0.5 10-24cm3
    Surface Tension: 86.6±3.0 dyne/cm
    Molar Volume: 89.7±3.0 cm3

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