ChemSpider 2D Image | (2S)-(3,4-Dichlorophenyl)({[(2-methyl-2-propanyl)oxy]carbonyl}amino)acetic acid | C13H15Cl2NO4

(2S)-(3,4-Dichlorophenyl)({[(2-methyl-2-propanyl)oxy]carbonyl}amino)acetic acid

  • Molecular FormulaC13H15Cl2NO4
  • Average mass320.168 Da
  • Monoisotopic mass319.037811 Da
  • ChemSpider ID32798239

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(2S)-(3,4-Dichlorophenyl)({[(2-methyl-2-propanyl)oxy]carbonyl}amino)acetic acid [ACD/IUPAC Name]
(2S)-(3,4-Dichlorphenyl)({[(2-methyl-2-propanyl)oxy]carbonyl}amino)essigsäure [German] [ACD/IUPAC Name]
Acide (2S)-(3,4-dichlorophényl)({[(2-méthyl-2-propanyl)oxy]carbonyl}amino)acétique [French] [ACD/IUPAC Name]
Benzeneacetic acid, 3,4-dichloro-α-[[(1,1-dimethylethoxy)carbonyl]amino]-, (αS)- [ACD/Index Name]
(2S)-2-{[(tert-butoxy)carbonyl]amino}-2-(3,4-dichlorophenyl)acetic acid
(S)-[(tert-butoxycarbonyl)amino](3,4-dichlorophenyl)acetic acid
(S)-N-Boc-2-(3,4-dichlorophenyl)glycine
1241678-17-0 [RN]
MFCD07371846

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

    Density: 1.4±0.1 g/cm3
    Boiling Point: 461.3±45.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.2 mmHg at 25°C
    Enthalpy of Vaporization: 76.1±3.0 kJ/mol
    Flash Point: 232.8±28.7 °C
    Index of Refraction: 1.553
    Molar Refractivity: 75.7±0.3 cm3
    #H bond acceptors: 5
    #H bond donors: 2
    #Freely Rotating Bonds: 5
    #Rule of 5 Violations: 0
    ACD/LogP: 3.81
    ACD/LogD (pH 5.5): 0.83
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 3.96
    ACD/LogD (pH 7.4): -0.18
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 1.00
    Polar Surface Area: 76 Å2
    Polarizability: 30.0±0.5 10-24cm3
    Surface Tension: 48.2±3.0 dyne/cm
    Molar Volume: 236.4±3.0 cm3

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