ChemSpider 2D Image | 2-Cyano-4-fluorobenzoic acid | C8H4FNO2

2-Cyano-4-fluorobenzoic acid

  • Molecular FormulaC8H4FNO2
  • Average mass165.121 Da
  • Monoisotopic mass165.022614 Da
  • ChemSpider ID23500973

More details:

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

1214369-42-2 [RN]
2-Cyan-4-fluorbenzoesäure [German] [ACD/IUPAC Name]
2-Cyano-4-fluorobenzoic acid [ACD/IUPAC Name]
Acide 2-cyano-4-fluorobenzoïque [French] [ACD/IUPAC Name]
Benzoic acid, 2-cyano-4-fluoro- [ACD/Index Name]
2-CYANO-4-FLUOROBENZOIC ACID|2-CYANO-4-FLUOROBENZOIC ACID
2-Cyano-4-fluorobenzoicacid
4-FLUORO-2-CYANOBENZOIC ACID
4-Fluoro-2-Cyanobenzoic Acid (en)
MFCD11110402 [MDL number]

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: 1.4±0.1 g/cm3
    Boiling Point: 336.2±27.0 °C at 760 mmHg
    Vapour Pressure: 0.0±0.8 mmHg at 25°C
    Enthalpy of Vaporization: 61.1±3.0 kJ/mol
    Flash Point: 157.1±23.7 °C
    Index of Refraction: 1.565
    Molar Refractivity: 37.7±0.4 cm3
    #H bond acceptors: 3
    #H bond donors: 1
    #Freely Rotating Bonds: 2
    #Rule of 5 Violations: 0
    ACD/LogP: 1.04
    ACD/LogD (pH 5.5): -0.72
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 1.00
    ACD/LogD (pH 7.4): -1.50
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 1.00
    Polar Surface Area: 61 Å2
    Polarizability: 14.9±0.5 10-24cm3
    Surface Tension: 58.8±5.0 dyne/cm
    Molar Volume: 115.8±5.0 cm3

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