ChemSpider 2D Image | 1-(5-Bromo-2-fluorophenyl)-1-propanone | C9H8BrFO

1-(5-Bromo-2-fluorophenyl)-1-propanone

  • Molecular FormulaC9H8BrFO
  • Average mass231.062 Da
  • Monoisotopic mass229.974243 Da
  • ChemSpider ID25528854

More details:

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

1-(5-Brom-2-fluorphenyl)-1-propanon [German] [ACD/IUPAC Name]
1-(5-Bromo-2-fluorophenyl)-1-propanone [ACD/IUPAC Name]
1-(5-Bromo-2-fluorophényl)-1-propanone [French] [ACD/IUPAC Name]
1-Propanone, 1-(5-bromo-2-fluorophenyl)- [ACD/Index Name]
[864774-65-2] [RN]
1-(5-bromo-2-fluorophenyl)propan-1-ol
1-(5-bromo-2-fluorophenyl)propan-1-one
198477-89-3 [RN]
2-isopropylsulfonylacetonitrile;2-(Isopropylsulfonyl)acetonitrile
2-propan-2-ylsulfonylacetonitrile
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

CCRIS 4693 [DBID]

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

    Density: 1.5±0.1 g/cm3
    Boiling Point: 267.3±25.0 °C at 760 mmHg
    Vapour Pressure: 0.0±0.5 mmHg at 25°C
    Enthalpy of Vaporization: 50.5±3.0 kJ/mol
    Flash Point: 115.5±23.2 °C
    Index of Refraction: 1.528
    Molar Refractivity: 48.6±0.3 cm3
    #H bond acceptors: 1
    #H bond donors: 0
    #Freely Rotating Bonds: 2
    #Rule of 5 Violations: 0
    ACD/LogP: 2.67
    ACD/LogD (pH 5.5): 2.77
    ACD/BCF (pH 5.5): 74.33
    ACD/KOC (pH 5.5): 760.34
    ACD/LogD (pH 7.4): 2.77
    ACD/BCF (pH 7.4): 74.33
    ACD/KOC (pH 7.4): 760.34
    Polar Surface Area: 17 Å2
    Polarizability: 19.3±0.5 10-24cm3
    Surface Tension: 37.2±3.0 dyne/cm
    Molar Volume: 157.9±3.0 cm3

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