ChemSpider 2D Image | Methyl 4-cyano-2-fluorobenzoate | C9H6FNO2

Methyl 4-cyano-2-fluorobenzoate

  • Molecular FormulaC9H6FNO2
  • Average mass179.148 Da
  • Monoisotopic mass179.038254 Da
  • ChemSpider ID24748502

More details:

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

175596-01-7 [RN]
4-Cyano-2-fluorobenzoate de méthyle [French] [ACD/IUPAC Name]
Benzoic acid, 4-cyano-2-fluoro-, methyl ester [ACD/Index Name]
Methyl 4-cyano-2-fluorobenzoate [ACD/IUPAC Name]
Methyl-4-cyan-2-fluorbenzoat [German] [ACD/IUPAC Name]
[175596-01-7] [RN]
4-cyano-2-fluorobenzoic acid methyl ester
4-Cyano-2-Fluoro-Benzoic Acid Methyl Ester
AGN-PC-00OPAS
BENZOIC ACID,4-CYANO-2-FLUORO-,METHYL ESTER
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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: 1.3±0.1 g/cm3
    Boiling Point: 296.0±30.0 °C at 760 mmHg
    Vapour Pressure: 0.0±0.6 mmHg at 25°C
    Enthalpy of Vaporization: 53.6±3.0 kJ/mol
    Flash Point: 132.8±24.6 °C
    Index of Refraction: 1.515
    Molar Refractivity: 42.5±0.4 cm3
    #H bond acceptors: 3
    #H bond donors: 0
    #Freely Rotating Bonds: 3
    #Rule of 5 Violations: 0
    ACD/LogP: 1.36
    ACD/LogD (pH 5.5): 1.64
    ACD/BCF (pH 5.5): 10.39
    ACD/KOC (pH 5.5): 185.93
    ACD/LogD (pH 7.4): 1.64
    ACD/BCF (pH 7.4): 10.39
    ACD/KOC (pH 7.4): 185.93
    Polar Surface Area: 50 Å2
    Polarizability: 16.9±0.5 10-24cm3
    Surface Tension: 44.5±5.0 dyne/cm
    Molar Volume: 141.0±5.0 cm3

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