ChemSpider 2D Image | 5-Bromo-2-fluoro-4-methylbenzaldehyde | C8H6BrFO

5-Bromo-2-fluoro-4-methylbenzaldehyde

  • Molecular FormulaC8H6BrFO
  • Average mass217.035 Da
  • Monoisotopic mass215.958603 Da
  • ChemSpider ID23646408

More details:

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

497224-12-1 [RN]
5-Brom-2-fluor-4-methylbenzaldehyd [German] [ACD/IUPAC Name]
5-Bromo-2-fluoro-4-methylbenzaldehyde [ACD/IUPAC Name]
5-Bromo-2-fluoro-4-méthylbenzaldéhyde [French] [ACD/IUPAC Name]
Benzaldehyde, 5-bromo-2-fluoro-4-methyl- [ACD/Index Name]
MFCD04112582 [MDL number]
VHR BF EE D1 [WLN]
[497224-12-1] [RN]
3-bromo-6-fluoro-4-methylbenzaldehyde
5,6-DIHYDROBENZO[H]QUINAZOLIN-2-AMINE [ACD/IUPAC Name]
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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: 1.6±0.1 g/cm3
    Boiling Point: 255.2±35.0 °C at 760 mmHg
    Vapour Pressure: 0.0±0.5 mmHg at 25°C
    Enthalpy of Vaporization: 49.3±3.0 kJ/mol
    Flash Point: 108.1±25.9 °C
    Index of Refraction: 1.575
    Molar Refractivity: 45.5±0.3 cm3
    #H bond acceptors: 1
    #H bond donors: 0
    #Freely Rotating Bonds: 1
    #Rule of 5 Violations: 0
    ACD/LogP: 3.06
    ACD/LogD (pH 5.5): 2.85
    ACD/BCF (pH 5.5): 86.56
    ACD/KOC (pH 5.5): 847.93
    ACD/LogD (pH 7.4): 2.85
    ACD/BCF (pH 7.4): 86.56
    ACD/KOC (pH 7.4): 847.93
    Polar Surface Area: 17 Å2
    Polarizability: 18.0±0.5 10-24cm3
    Surface Tension: 40.5±3.0 dyne/cm
    Molar Volume: 137.8±3.0 cm3

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