ChemSpider 2D Image | (S)-2-Chloro-3-(1H-imidazol-4-yl)propanoic acid | C6H7ClN2O2

(S)-2-Chloro-3-(1H-imidazol-4-yl)propanoic acid

  • Molecular FormulaC6H7ClN2O2
  • Average mass174.585 Da
  • Monoisotopic mass174.019608 Da
  • ChemSpider ID23630184

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(2S)-2-Chlor-3-(1H-imidazol-4-yl)propansäure [German] [ACD/IUPAC Name]
(2S)-2-Chloro-3-(1H-imidazol-4-yl)propanoic acid [ACD/IUPAC Name]
(S)-2-Chloro-3-(1H-imidazol-4-yl)propanoic acid
17561-26-1 [RN]
1H-Imidazole-4-propanoic acid, α-chloro-, (αS)- [ACD/Index Name]
Acide (2S)-2-chloro-3-(1H-imidazol-4-yl)propanoïque [French] [ACD/IUPAC Name]
(2S)-2-chloro-3-(1H-imidazol-5-yl)propanoic acid
(S)-(-)-2-Chloro-3-[4(5)-imidazolyl]propionic Acid
(S)-2-chloro-3-(1H-imidazol-5-yl)propanoic acid
(S)-a-Chloro-1H-imidazole-4-propanoic acid
More...

    Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

    Density: 1.5±0.1 g/cm3
    Boiling Point: 451.2±30.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.2 mmHg at 25°C
    Enthalpy of Vaporization: 74.8±3.0 kJ/mol
    Flash Point: 226.7±24.6 °C
    Index of Refraction: 1.589
    Molar Refractivity: 39.3±0.3 cm3
    #H bond acceptors: 4
    #H bond donors: 2
    #Freely Rotating Bonds: 3
    #Rule of 5 Violations: 0
    ACD/LogP: -0.50
    ACD/LogD (pH 5.5): -2.35
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 1.00
    ACD/LogD (pH 7.4): -2.78
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 1.00
    Polar Surface Area: 66 Å2
    Polarizability: 15.6±0.5 10-24cm3
    Surface Tension: 67.9±3.0 dyne/cm
    Molar Volume: 116.7±3.0 cm3

    Click to predict properties on the Chemicalize site


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