ChemSpider 2D Image | Methyl (1S,2R)-2-(4-bromobenzoyl)cyclopentanecarboxylate | C14H15BrO3

Methyl (1S,2R)-2-(4-bromobenzoyl)cyclopentanecarboxylate

  • Molecular FormulaC14H15BrO3
  • Average mass311.171 Da
  • Monoisotopic mass310.020447 Da
  • ChemSpider ID29211852

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(1S,2R)-2-(4-Bromobenzoyl)cyclopentanecarboxylate de méthyle [French] [ACD/IUPAC Name]
Cyclopentanecarboxylic acid, 2-(4-bromobenzoyl)-, methyl ester, (1S,2R)- [ACD/Index Name]
Methyl (1S,2R)-2-(4-bromobenzoyl)cyclopentanecarboxylate [ACD/IUPAC Name]
Methyl-(1S,2R)-2-(4-brombenzoyl)cyclopentancarboxylat [German] [ACD/IUPAC Name]
(1S,2R)-methyl 2-(4-bromobenzoyl)cyclopentanecarboxylate
(1S,2R)-methyl 2-(4-bromobenzoyl)cyclopentanecarboxylate,CIS
(1S,2R)methyl-2-(4-bromobenzoyl)cyclopentanecarboxylate
(1S,2R)-methyl-2-(4-bromobenzoyl)cyclopentanecarboxylate
791594-11-1 [RN]
cis-2-(4-bromobenzoyl)cyclopentanecarboxylic acid methyl ester
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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: 394.8±37.0 °C at 760 mmHg
    Vapour Pressure: 0.0±0.9 mmHg at 25°C
    Enthalpy of Vaporization: 64.5±3.0 kJ/mol
    Flash Point: 192.6±26.5 °C
    Index of Refraction: 1.563
    Molar Refractivity: 71.3±0.3 cm3
    #H bond acceptors: 3
    #H bond donors: 0
    #Freely Rotating Bonds: 4
    #Rule of 5 Violations: 0
    ACD/LogP: 3.21
    ACD/LogD (pH 5.5): 3.20
    ACD/BCF (pH 5.5): 159.26
    ACD/KOC (pH 5.5): 1311.82
    ACD/LogD (pH 7.4): 3.20
    ACD/BCF (pH 7.4): 159.26
    ACD/KOC (pH 7.4): 1311.82
    Polar Surface Area: 43 Å2
    Polarizability: 28.3±0.5 10-24cm3
    Surface Tension: 46.2±3.0 dyne/cm
    Molar Volume: 219.5±3.0 cm3

    Click to predict properties on the Chemicalize site


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