ChemSpider 2D Image | 2-(5-Bromo-2-oxochroman-4-yl)acetic acid | C11H9BrO4

2-(5-Bromo-2-oxochroman-4-yl)acetic acid

  • Molecular FormulaC11H9BrO4
  • Average mass285.091 Da
  • Monoisotopic mass283.968414 Da
  • ChemSpider ID28420065

More details:

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

(5-Brom-2-oxo-3,4-dihydro-2H-chromen-4-yl)essigsäure [German] [ACD/IUPAC Name]
(5-Bromo-2-oxo-3,4-dihydro-2H-chromen-4-yl)acetic acid [ACD/IUPAC Name]
1334499-95-4 [RN]
2-(5-Bromo-2-oxochroman-4-yl)acetic acid
2H-1-Benzopyran-4-acetic acid, 5-bromo-3,4-dihydro-2-oxo- [ACD/Index Name]
Acide (5-bromo-2-oxo-3,4-dihydro-2H-chromén-4-yl)acétique [French] [ACD/IUPAC Name]
(5-Bromo-2-oxo-3,4-dihydro-1-benzopyran-4-yl)acetic acid
(5-Bromo-2-oxo-3,4-dihydro-2H-1-benzopyran-4-yl)acetic acid
[1334499-95-4] [RN]
2-(5-Bromo-2-oxochroman-4-yl)aceticacid
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    Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

    Density: 1.7±0.1 g/cm3
    Boiling Point: 405.7±45.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.0 mmHg at 25°C
    Enthalpy of Vaporization: 69.3±3.0 kJ/mol
    Flash Point: 199.1±28.7 °C
    Index of Refraction: 1.598
    Molar Refractivity: 58.7±0.3 cm3
    #H bond acceptors: 4
    #H bond donors: 1
    #Freely Rotating Bonds: 2
    #Rule of 5 Violations: 0
    ACD/LogP: 2.08
    ACD/LogD (pH 5.5): 0.83
    ACD/BCF (pH 5.5): 1.28
    ACD/KOC (pH 5.5): 18.76
    ACD/LogD (pH 7.4): -0.96
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 1.00
    Polar Surface Area: 64 Å2
    Polarizability: 23.3±0.5 10-24cm3
    Surface Tension: 55.2±3.0 dyne/cm
    Molar Volume: 172.2±3.0 cm3

    Click to predict properties on the Chemicalize site


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