ChemSpider 2D Image | 4-(5-Bromopyrimidin-2-yloxy)benzoic acid | C11H7BrN2O3

4-(5-Bromopyrimidin-2-yloxy)benzoic acid

  • Molecular FormulaC11H7BrN2O3
  • Average mass295.089 Da
  • Monoisotopic mass293.963989 Da
  • ChemSpider ID22252290

More details:

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

1086379-56-7 [RN]
4-(5-Bromopyrimidin-2-yloxy)benzoic acid
4-[(5-Brom-2-pyrimidinyl)oxy]benzoesäure [German] [ACD/IUPAC Name]
4-[(5-Bromo-2-pyrimidinyl)oxy]benzoic acid [ACD/IUPAC Name]
4-[(5-Bromopyrimidin-2-yl)oxy]benzoic acid
Acide 4-[(5-bromo-2-pyrimidinyl)oxy]benzoïque [French] [ACD/IUPAC Name]
Benzoic acid, 4-[(5-bromo-2-pyrimidinyl)oxy]- [ACD/Index Name]
[1086379-56-7] [RN]
'1086379-56-7 [EINECS]
4-((5-Bromopyrimidin-2-yl)oxy)benzoic 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: 1.7±0.1 g/cm3
    Boiling Point: 488.0±51.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.3 mmHg at 25°C
    Enthalpy of Vaporization: 79.4±3.0 kJ/mol
    Flash Point: 249.0±30.4 °C
    Index of Refraction: 1.645
    Molar Refractivity: 63.5±0.3 cm3
    #H bond acceptors: 5
    #H bond donors: 1
    #Freely Rotating Bonds: 3
    #Rule of 5 Violations: 0
    ACD/LogP: 2.63
    ACD/LogD (pH 5.5): 1.09
    ACD/BCF (pH 5.5): 1.65
    ACD/KOC (pH 5.5): 17.79
    ACD/LogD (pH 7.4): -0.32
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 1.00
    Polar Surface Area: 72 Å2
    Polarizability: 25.2±0.5 10-24cm3
    Surface Tension: 66.0±3.0 dyne/cm
    Molar Volume: 175.2±3.0 cm3

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