ChemSpider 2D Image | (1R,2S)-2-[2-(3-Bromophenyl)-2-oxoethyl]cyclopentanecarboxylic acid | C14H15BrO3

(1R,2S)-2-[2-(3-Bromophenyl)-2-oxoethyl]cyclopentanecarboxylic acid

  • Molecular FormulaC14H15BrO3
  • Average mass311.171 Da
  • Monoisotopic mass310.020447 Da
  • ChemSpider ID21396870
  • defined stereocentres - 2 of 2 defined stereocentres


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

(1R,2S)-2-[2-(3-Bromophenyl)-2-oxoethyl]cyclopentanecarboxylic acid [ACD/IUPAC Name]
(1R,2S)-2-[2-(3-Bromphenyl)-2-oxoethyl]cyclopentancarbonsäure [German] [ACD/IUPAC Name]
Acide (1R,2S)-2-[2-(3-bromophényl)-2-oxoéthyl]cyclopentanecarboxylique [French] [ACD/IUPAC Name]
Cyclopentanecarboxylic acid, 2-[2-(3-bromophenyl)-2-oxoethyl]-, (1R,2S)- [ACD/Index Name]
(1R,2S)-2-[2-(3-bromophenyl)-2-oxoethyl]cyclopentane-1-carboxylic acid
733740-61-9 [RN]
95%
MFCD01311210 [MDL number]
trans-2-[2-(3-bromophenyl)-2-oxoethyl]cyclopentane-1-carboxylic acid
trans-2-[2-(3-Bromophenyl)-2-oxoethyl]-cyclopentane-1-carboxylic acid
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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: 460.8±20.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.2 mmHg at 25°C
    Enthalpy of Vaporization: 76.0±3.0 kJ/mol
    Flash Point: 232.5±21.8 °C
    Index of Refraction: 1.579
    Molar Refractivity: 71.1±0.3 cm3
    #H bond acceptors: 3
    #H bond donors: 1
    #Freely Rotating Bonds: 4
    #Rule of 5 Violations: 0
    ACD/LogP: 3.26
    ACD/LogD (pH 5.5): 2.18
    ACD/BCF (pH 5.5): 15.81
    ACD/KOC (pH 5.5): 135.40
    ACD/LogD (pH 7.4): 0.38
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 2.13
    Polar Surface Area: 54 Å2
    Polarizability: 28.2±0.5 10-24cm3
    Surface Tension: 49.9±3.0 dyne/cm
    Molar Volume: 214.1±3.0 cm3

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