ChemSpider 2D Image | 3',6-Difluoro-3-biphenylcarboxylic acid | C13H8F2O2

3',6-Difluoro-3-biphenylcarboxylic acid

  • Molecular FormulaC13H8F2O2
  • Average mass234.198 Da
  • Monoisotopic mass234.049240 Da
  • ChemSpider ID23356921

More details:

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

[1,1'-Biphenyl]-3-carboxylic acid, 3',6-difluoro- [ACD/Index Name]
3',6-Difluor-3-biphenylcarbonsäure [German] [ACD/IUPAC Name]
3',6-Difluoro-3-biphenylcarboxylic acid [ACD/IUPAC Name]
3',6-Difluorobiphenyl-3-carboxylic acid
Acide 3',6-difluoro-3-biphénylcarboxylique [French] [ACD/IUPAC Name]
[1214363-82-2] [RN]
1214363-82-2 [RN]
3-(3-FLUOROPHENYL)-4-FLUOROBENZOIC ACID
3-(3-Fluorophenyl)-4-fluorobenzoicacid
3',2-Difluorobiphenyl-5-carboxylic acid
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    Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

    Density: 1.3±0.1 g/cm3
    Boiling Point: 383.3±32.0 °C at 760 mmHg
    Vapour Pressure: 0.0±0.9 mmHg at 25°C
    Enthalpy of Vaporization: 66.6±3.0 kJ/mol
    Flash Point: 185.6±25.1 °C
    Index of Refraction: 1.572
    Molar Refractivity: 57.8±0.3 cm3
    #H bond acceptors: 2
    #H bond donors: 1
    #Freely Rotating Bonds: 2
    #Rule of 5 Violations: 0
    ACD/LogP: 4.49
    ACD/LogD (pH 5.5): 2.71
    ACD/BCF (pH 5.5): 29.46
    ACD/KOC (pH 5.5): 145.80
    ACD/LogD (pH 7.4): 1.26
    ACD/BCF (pH 7.4): 1.05
    ACD/KOC (pH 7.4): 5.20
    Polar Surface Area: 37 Å2
    Polarizability: 22.9±0.5 10-24cm3
    Surface Tension: 45.8±3.0 dyne/cm
    Molar Volume: 175.7±3.0 cm3

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