ChemSpider 2D Image | Methyl 2-amino-3-fluorobenzoate | C8H8FNO2

Methyl 2-amino-3-fluorobenzoate

  • Molecular FormulaC8H8FNO2
  • Average mass169.153 Da
  • Monoisotopic mass169.053909 Da
  • ChemSpider ID14140980

More details:

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

144851-82-1 [RN]
2-Amino-3-fluorobenzoate de méthyle [French] [ACD/IUPAC Name]
Benzoic acid, 2-amino-3-fluoro-, methyl ester [ACD/Index Name]
Methyl 2-amino-3-fluorobenzoate [ACD/IUPAC Name]
Methyl-2-amino-3-fluorbenzoat [German] [ACD/IUPAC Name]
MFCD11870179 [MDL number]
[144851-82-1] [RN]
2-amino-3-fluorobenzoic acid methyl ester
2-amino-3-fluoro-benzoic acidmethylester
2-amino-3-fluorobenzoicacidmethylester
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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: 246.8±25.0 °C at 760 mmHg
    Vapour Pressure: 0.0±0.5 mmHg at 25°C
    Enthalpy of Vaporization: 48.4±3.0 kJ/mol
    Flash Point: 103.1±23.2 °C
    Index of Refraction: 1.544
    Molar Refractivity: 42.3±0.3 cm3
    #H bond acceptors: 3
    #H bond donors: 2
    #Freely Rotating Bonds: 2
    #Rule of 5 Violations: 0
    ACD/LogP: 2.58
    ACD/LogD (pH 5.5): 2.38
    ACD/BCF (pH 5.5): 38.10
    ACD/KOC (pH 5.5): 471.20
    ACD/LogD (pH 7.4): 2.38
    ACD/BCF (pH 7.4): 38.10
    ACD/KOC (pH 7.4): 471.21
    Polar Surface Area: 52 Å2
    Polarizability: 16.8±0.5 10-24cm3
    Surface Tension: 44.2±3.0 dyne/cm
    Molar Volume: 133.8±3.0 cm3

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