ChemSpider 2D Image | TM5441 | C21H17ClN2O6

TM5441

  • Molecular FormulaC21H17ClN2O6
  • Average mass428.823 Da
  • Monoisotopic mass428.077515 Da
  • ChemSpider ID60598824

More details:

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

1190221-43-2 [RN]
5-Chlor-2-{[(2-{[3-(3-furyl)phenyl]amino}-2-oxoethoxy)acetyl]amino}benzoesäure [German] [ACD/IUPAC Name]
5-Chloro-2-{[(2-{[3-(3-furyl)phenyl]amino}-2-oxoethoxy)acetyl]amino}benzoic acid [ACD/IUPAC Name]
Acide 5-chloro-2-{[2-(2-{[3-(3-furyl)phényl]amino}-2-oxoéthoxy)acétyl]amino}benzoïque [French] [ACD/IUPAC Name]
Benzoic acid, 5-chloro-2-[[2-[2-[[3-(3-furanyl)phenyl]amino]-2-oxoethoxy]acetyl]amino]- [ACD/Index Name]
TM5441
5-Chloro-2-(2-(2-((3-(furan-3-yl)phenyl)amino)-2-oxoethoxy)acetamido)benzoic acid
5-chloro-2-[[2-[2-[[3-(3-furanyl)phenyl]amino]-2-oxoethoxy]acetyl]amino]-benzoic acid
5-CHLORO-2-[2-({[3-(FURAN-3-YL)PHENYL]CARBAMOYL}METHOXY)ACETAMIDO]BENZOIC ACID
MFCD31382187
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    Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

    Density: 1.5±0.1 g/cm3
    Boiling Point: 738.6±60.0 °C at 760 mmHg
    Vapour Pressure: 0.0±2.6 mmHg at 25°C
    Enthalpy of Vaporization: 113.1±3.0 kJ/mol
    Flash Point: 400.5±32.9 °C
    Index of Refraction: 1.663
    Molar Refractivity: 109.5±0.3 cm3
    #H bond acceptors: 8
    #H bond donors: 3
    #Freely Rotating Bonds: 8
    #Rule of 5 Violations: 1
    ACD/LogP: 5.56
    ACD/LogD (pH 5.5): 1.90
    ACD/BCF (pH 5.5): 4.57
    ACD/KOC (pH 5.5): 22.55
    ACD/LogD (pH 7.4): 1.11
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 3.61
    Polar Surface Area: 118 Å2
    Polarizability: 43.4±0.5 10-24cm3
    Surface Tension: 63.8±3.0 dyne/cm
    Molar Volume: 295.4±3.0 cm3

    Click to predict properties on the Chemicalize site


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