ChemSpider 2D Image | (3-Bromophenyl)(oxo)acetic acid | C8H5BrO3

(3-Bromophenyl)(oxo)acetic acid

  • Molecular FormulaC8H5BrO3
  • Average mass229.027 Da
  • Monoisotopic mass227.942200 Da
  • ChemSpider ID11553574

More details:

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

(3-Bromophenyl)(oxo)acetic acid [ACD/IUPAC Name]
(3-Bromphenyl)(oxo)essigsäure [German] [ACD/IUPAC Name]
2-(3-Bromophenyl)-2-oxoacetic acid
7194-78-7 [RN]
Acide (3-bromophényl)(oxo)acétique [French] [ACD/IUPAC Name]
Benzeneacetic acid, 3-bromo-α-oxo- [ACD/Index Name]
1H-Benzotriazole-6-methanamine
3-bromobenzoylformic acid
DS-7651
MFCD07698694

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

    Density: 1.7±0.1 g/cm3
    Boiling Point: 329.4±34.0 °C at 760 mmHg
    Vapour Pressure: 0.0±0.8 mmHg at 25°C
    Enthalpy of Vaporization: 60.4±3.0 kJ/mol
    Flash Point: 153.0±25.7 °C
    Index of Refraction: 1.607
    Molar Refractivity: 45.5±0.3 cm3
    #H bond acceptors: 3
    #H bond donors: 1
    #Freely Rotating Bonds: 2
    #Rule of 5 Violations: 0
    ACD/LogP: 1.66
    ACD/LogD (pH 5.5): -1.48
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 1.00
    ACD/LogD (pH 7.4): -1.98
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 1.00
    Polar Surface Area: 54 Å2
    Polarizability: 18.1±0.5 10-24cm3
    Surface Tension: 58.7±3.0 dyne/cm
    Molar Volume: 131.8±3.0 cm3

    Click to predict properties on the Chemicalize site


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