Found 980 results

Search term: MF = 'C_{13}H_{13}BrO'
ChemSpider 2D Image | (1R,2S)-2-[(4-Bromophenyl)ethynyl]cyclopentanol | C13H13BrO

(1R,2S)-2-[(4-Bromophenyl)ethynyl]cyclopentanol

  • Molecular FormulaC13H13BrO
  • Average mass265.146 Da
  • Monoisotopic mass264.014984 Da
  • ChemSpider ID58216879

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(1R,2S)-2-[(4-Bromophenyl)ethynyl]cyclopentanol [ACD/IUPAC Name]
(1R,2S)-2-[(4-Bromophényl)éthynyl]cyclopentanol [French] [ACD/IUPAC Name]
(1R,2S)-2-[(4-Bromphenyl)ethinyl]cyclopentanol [German] [ACD/IUPAC Name]
Cyclopentanol, 2-[2-(4-bromophenyl)ethynyl]-, (1R,2S)- [ACD/Index Name]
(1R,2S)-2-[2-(4-bromophenyl)ethynyl]cyclopentan-1-ol
2165731-27-9 [RN]
MFCD30492742

    Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

    Density: 1.5±0.1 g/cm3
    Boiling Point: 369.5±37.0 °C at 760 mmHg
    Vapour Pressure: 0.0±0.9 mmHg at 25°C
    Enthalpy of Vaporization: 65.0±3.0 kJ/mol
    Flash Point: 177.3±26.5 °C
    Index of Refraction: 1.628
    Molar Refractivity: 64.3±0.4 cm3
    #H bond acceptors: 1
    #H bond donors: 1
    #Freely Rotating Bonds: 2
    #Rule of 5 Violations: 0
    ACD/LogP: 3.82
    ACD/LogD (pH 5.5): 3.52
    ACD/BCF (pH 5.5): 276.94
    ACD/KOC (pH 5.5): 1949.22
    ACD/LogD (pH 7.4): 3.52
    ACD/BCF (pH 7.4): 276.94
    ACD/KOC (pH 7.4): 1949.22
    Polar Surface Area: 20 Å2
    Polarizability: 25.5±0.5 10-24cm3
    Surface Tension: 55.9±5.0 dyne/cm
    Molar Volume: 181.4±5.0 cm3

    Click to predict properties on the Chemicalize site


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