ChemSpider 2D Image | 3,4-difluoro-2-(2-fluoro-4-iodophenylamino)benzoic acid | C13H7F3INO2

3,4-difluoro-2-(2-fluoro-4-iodophenylamino)benzoic acid

  • Molecular FormulaC13H7F3INO2
  • Average mass393.100 Da
  • Monoisotopic mass392.947357 Da
  • ChemSpider ID10763055

More details:

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

3,4-Difluor-2-[(2-fluor-4-iodphenyl)amino]benzoesäure [German] [ACD/IUPAC Name]
3,4-Difluoro-2-((2-fluoro-4-iodophenyl)amino)benzoic acid
3,4-difluoro-2-(2-fluoro-4-iodophenylamino)benzoic acid
3,4-Difluoro-2-[(2-fluoro-4-iodophenyl)amino]benzoic acid [ACD/IUPAC Name]
391211-97-5 [RN]
Acide 3,4-difluoro-2-[(2-fluoro-4-iodophényl)amino]benzoïque [French] [ACD/IUPAC Name]
Benzoic acid, 3,4-difluoro-2-[(2-fluoro-4-iodophenyl)amino]- [ACD/Index Name]
MFCD08690072 [MDL number]
(S)-tert-butyl (1-(methoxy(methyl)amino)-3-methyl-1-oxobutan-2-yl)carbamate
2-(2-Fluoro-4-iodoanilino)-3,4-difluorobenzoic Acid
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    Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

    Density: 1.9±0.1 g/cm3
    Boiling Point: 370.1±42.0 °C at 760 mmHg
    Vapour Pressure: 0.0±0.9 mmHg at 25°C
    Enthalpy of Vaporization: 65.1±3.0 kJ/mol
    Flash Point: 177.6±27.9 °C
    Index of Refraction: 1.667
    Molar Refractivity: 75.4±0.3 cm3
    #H bond acceptors: 3
    #H bond donors: 2
    #Freely Rotating Bonds: 3
    #Rule of 5 Violations: 1
    ACD/LogP: 8.04
    ACD/LogD (pH 5.5): 3.76
    ACD/BCF (pH 5.5): 126.08
    ACD/KOC (pH 5.5): 263.21
    ACD/LogD (pH 7.4): 2.85
    ACD/BCF (pH 7.4): 15.53
    ACD/KOC (pH 7.4): 32.42
    Polar Surface Area: 49 Å2
    Polarizability: 29.9±0.5 10-24cm3
    Surface Tension: 58.1±3.0 dyne/cm
    Molar Volume: 202.7±3.0 cm3

    Click to predict properties on the Chemicalize site


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