ChemSpider 2D Image | 2-Propyn-1-yl 4-(benzyloxy)-3-bromobenzoate | C17H13BrO3

2-Propyn-1-yl 4-(benzyloxy)-3-bromobenzoate

  • Molecular FormulaC17H13BrO3
  • Average mass345.187 Da
  • Monoisotopic mass344.004791 Da
  • ChemSpider ID35502456

More details:

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

1706453-28-2 [RN]
2-Propin-1-yl-4-(benzyloxy)-3-brombenzoat [German] [ACD/IUPAC Name]
2-Propyn-1-yl 4-(benzyloxy)-3-bromobenzoate [ACD/IUPAC Name]
4-(Benzyloxy)-3-bromobenzoate de 2-propyn-1-yle [French] [ACD/IUPAC Name]
Benzoic acid, 3-bromo-4-(phenylmethoxy)-, 2-propyn-1-yl ester [ACD/Index Name]
4-Benzyloxy-3-bromo-benzoic acid prop-2-ynyl ester
AKOS025131449
benzoic acid, 3-bromo-4-(phenylmethoxy)-, 2-propynyl ester
MFCD28101982
prop-2-yn-1-yl 4-(benzyloxy)-3-bromobenzoate
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    Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

    Density: 1.4±0.1 g/cm3
    Boiling Point: 465.8±40.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.2 mmHg at 25°C
    Enthalpy of Vaporization: 72.7±3.0 kJ/mol
    Flash Point: 235.5±27.3 °C
    Index of Refraction: 1.601
    Molar Refractivity: 84.0±0.3 cm3
    #H bond acceptors: 3
    #H bond donors: 0
    #Freely Rotating Bonds: 7
    #Rule of 5 Violations: 0
    ACD/LogP: 4.79
    ACD/LogD (pH 5.5): 4.72
    ACD/BCF (pH 5.5): 2271.34
    ACD/KOC (pH 5.5): 8790.69
    ACD/LogD (pH 7.4): 4.72
    ACD/BCF (pH 7.4): 2271.34
    ACD/KOC (pH 7.4): 8790.69
    Polar Surface Area: 36 Å2
    Polarizability: 33.3±0.5 10-24cm3
    Surface Tension: 49.5±3.0 dyne/cm
    Molar Volume: 245.0±3.0 cm3

    Click to predict properties on the Chemicalize site


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