ChemSpider 2D Image | [1-(3-Bromophenyl)cyclobutyl]acetic acid | C12H13BrO2

[1-(3-Bromophenyl)cyclobutyl]acetic acid

  • Molecular FormulaC12H13BrO2
  • Average mass269.134 Da
  • Monoisotopic mass268.009888 Da
  • ChemSpider ID29738915

More details:

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

[1-(3-Bromophenyl)cyclobutyl]acetic acid [ACD/IUPAC Name]
[1-(3-Bromphenyl)cyclobutyl]essigsäure [German] [ACD/IUPAC Name]
Acide [1-(3-bromophényl)cyclobutyl]acétique [French] [ACD/IUPAC Name]
Cyclobutaneacetic acid, 1-(3-bromophenyl)- [ACD/Index Name]
1439900-31-8 [RN]
2-(1-(3-Bromophenyl)cyclobutyl)acetic acid
2-[1-(3-Bromophenyl)cyclobutyl]acetic acid
KS-8272
MFCD26097060

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

    Density: 1.5±0.1 g/cm3
    Boiling Point: 396.9±25.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.0 mmHg at 25°C
    Enthalpy of Vaporization: 68.3±3.0 kJ/mol
    Flash Point: 193.9±23.2 °C
    Index of Refraction: 1.590
    Molar Refractivity: 61.4±0.3 cm3
    #H bond acceptors: 2
    #H bond donors: 1
    #Freely Rotating Bonds: 3
    #Rule of 5 Violations: 0
    ACD/LogP: 3.50
    ACD/LogD (pH 5.5): 2.36
    ACD/BCF (pH 5.5): 23.01
    ACD/KOC (pH 5.5): 189.30
    ACD/LogD (pH 7.4): 0.56
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 3.01
    Polar Surface Area: 37 Å2
    Polarizability: 24.3±0.5 10-24cm3
    Surface Tension: 54.5±3.0 dyne/cm
    Molar Volume: 182.0±3.0 cm3

    Click to predict properties on the Chemicalize site


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