ChemSpider 2D Image | Methyl 3-{[(2-chloroethyl)carbamoyl]amino}benzoate | C11H13ClN2O3

Methyl 3-{[(2-chloroethyl)carbamoyl]amino}benzoate

  • Molecular FormulaC11H13ClN2O3
  • Average mass256.685 Da
  • Monoisotopic mass256.061462 Da
  • ChemSpider ID23319278

More details:

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

3-{[(2-Chloroéthyl)carbamoyl]amino}benzoate de méthyle [French] [ACD/IUPAC Name]
Benzoic acid, 3-[[[(2-chloroethyl)amino]carbonyl]amino]-, methyl ester [ACD/Index Name]
Methyl 3-{[(2-chloroethyl)carbamoyl]amino}benzoate [ACD/IUPAC Name]
Methyl-3-{[(2-chlorethyl)carbamoyl]amino}benzoat [German] [ACD/IUPAC Name]
3-[3-(2-chloroethyl)ureido]benzoic acid methylester
651749-45-0 [RN]
Methyl 3-(3-(2-chloroethyl)ureido)benzoate
MFCD30603128

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

    Density: 1.3±0.1 g/cm3
    Boiling Point: 372.6±42.0 °C at 760 mmHg
    Vapour Pressure: 0.0±0.8 mmHg at 25°C
    Enthalpy of Vaporization: 62.0±3.0 kJ/mol
    Flash Point: 179.1±27.9 °C
    Index of Refraction: 1.578
    Molar Refractivity: 65.4±0.3 cm3
    #H bond acceptors: 5
    #H bond donors: 2
    #Freely Rotating Bonds: 5
    #Rule of 5 Violations: 0
    ACD/LogP: 2.04
    ACD/LogD (pH 5.5): 2.10
    ACD/BCF (pH 5.5): 23.12
    ACD/KOC (pH 5.5): 329.58
    ACD/LogD (pH 7.4): 2.10
    ACD/BCF (pH 7.4): 23.12
    ACD/KOC (pH 7.4): 329.55
    Polar Surface Area: 67 Å2
    Polarizability: 25.9±0.5 10-24cm3
    Surface Tension: 49.2±3.0 dyne/cm
    Molar Volume: 197.1±3.0 cm3

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