ChemSpider 2D Image | METHYL 2-(5-BROMOPYRIMIDIN-2-YLOXY)BENZOATE | C12H9BrN2O3

METHYL 2-(5-BROMOPYRIMIDIN-2-YLOXY)BENZOATE

  • Molecular FormulaC12H9BrN2O3
  • Average mass309.116 Da
  • Monoisotopic mass307.979645 Da
  • ChemSpider ID24957811

More details:

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

1086397-52-5 [RN]
2-[(5-Bromo-2-pyrimidinyl)oxy]benzoate de méthyle [French] [ACD/IUPAC Name]
Benzoic acid, 2-[(5-bromo-2-pyrimidinyl)oxy]-, methyl ester [ACD/Index Name]
METHYL 2-(5-BROMOPYRIMIDIN-2-YLOXY)BENZOATE
Methyl 2-[(5-bromo-2-pyrimidinyl)oxy]benzoate [ACD/IUPAC Name]
Methyl-2-[(5-brom-2-pyrimidinyl)oxy]benzoat [German] [ACD/IUPAC Name]
2-(5-bromopyrimidin-2-yloxy)benzoic acid methyl ester
2-(5-bromopyrimidin-2-yloxy)-benzoic acid methyl ester
2-(5-bromo-pyrimidin-2-yloxy)-benzoic acid methyl ester
FLLL32
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    Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

    Density: 1.5±0.1 g/cm3
    Boiling Point: 444.0±51.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.1 mmHg at 25°C
    Enthalpy of Vaporization: 70.2±3.0 kJ/mol
    Flash Point: 222.3±30.4 °C
    Index of Refraction: 1.597
    Molar Refractivity: 68.3±0.3 cm3
    #H bond acceptors: 5
    #H bond donors: 0
    #Freely Rotating Bonds: 4
    #Rule of 5 Violations: 0
    ACD/LogP: 2.49
    ACD/LogD (pH 5.5): 2.40
    ACD/BCF (pH 5.5): 39.24
    ACD/KOC (pH 5.5): 481.31
    ACD/LogD (pH 7.4): 2.40
    ACD/BCF (pH 7.4): 39.24
    ACD/KOC (pH 7.4): 481.31
    Polar Surface Area: 61 Å2
    Polarizability: 27.1±0.5 10-24cm3
    Surface Tension: 53.4±3.0 dyne/cm
    Molar Volume: 200.5±3.0 cm3

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