ChemSpider 2D Image | (2S)-[(1-Benzofuran-2-ylcarbonyl)amino](phenyl)acetic acid | C17H13NO4

(2S)-[(1-Benzofuran-2-ylcarbonyl)amino](phenyl)acetic acid

  • Molecular FormulaC17H13NO4
  • Average mass295.289 Da
  • Monoisotopic mass295.084473 Da
  • ChemSpider ID25364027

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(2S)-[(1-Benzofuran-2-ylcarbonyl)amino](phenyl)acetic acid [ACD/IUPAC Name]
(2S)-[(1-Benzofuran-2-ylcarbonyl)amino](phenyl)essigsäure [German] [ACD/IUPAC Name]
Acide (2S)-[(1-benzofuran-2-ylcarbonyl)amino](phényl)acétique [French] [ACD/IUPAC Name]
Benzeneacetic acid, α-[(2-benzofuranylcarbonyl)amino]-, (αS)- [ACD/Index Name]
(2S)-[(1-Benzofuran-2-ylcarbonyl)amino](phenyl)-acetic acid
(2S)-2-(1-benzofuran-2-carbonylamino)-2-phenylacetic acid
(2S)-2-(1-benzofuran-2-ylformamido)-2-phenylacetic acid
(2S)-2-(benzofuran-2-carbonylamino)-2-phenyl-acetic acid
(2S)-2-[(1-benzofuran-2-yl)formamido]-2-phenylacetic acid
(S)-(1-benzofuran-2-ylformamido)(phenyl)acetic 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: 570.6±45.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.7 mmHg at 25°C
    Enthalpy of Vaporization: 90.0±3.0 kJ/mol
    Flash Point: 298.9±28.7 °C
    Index of Refraction: 1.657
    Molar Refractivity: 80.7±0.3 cm3
    #H bond acceptors: 5
    #H bond donors: 2
    #Freely Rotating Bonds: 4
    #Rule of 5 Violations: 0
    ACD/LogP: 3.46
    ACD/LogD (pH 5.5): 0.42
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 3.33
    ACD/LogD (pH 7.4): -0.84
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 1.00
    Polar Surface Area: 80 Å2
    Polarizability: 32.0±0.5 10-24cm3
    Surface Tension: 60.1±3.0 dyne/cm
    Molar Volume: 219.3±3.0 cm3

    Click to predict properties on the Chemicalize site


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