ChemSpider 2D Image | ethyl 4-(2-bromobutanamido)benzoate | C13H16BrNO3

ethyl 4-(2-bromobutanamido)benzoate

  • Molecular FormulaC13H16BrNO3
  • Average mass314.175 Da
  • Monoisotopic mass313.031342 Da
  • ChemSpider ID21800682

More details:

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

1119452-36-6 [RN]
4-[(2-Bromobutanoyl)amino]benzoate d'éthyle [French] [ACD/IUPAC Name]
Benzoic acid, 4-[(2-bromo-1-oxobutyl)amino]-, ethyl ester [ACD/Index Name]
ethyl 4-(2-bromobutanamido)benzoate
Ethyl 4-[(2-bromo-1-oxobutyl)amino]benzoate
Ethyl 4-[(2-bromobutanoyl)amino]benzoate [ACD/IUPAC Name]
Ethyl-4-[(2-brombutanoyl)amino]benzoat [German] [ACD/IUPAC Name]
ethyl 4-(2-bromobutanoylamino)benzoate
ethyl4-[(2-bromobutanoyl)amino]benzoate

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

MFCD12027311 [DBID]

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

    Density: 1.4±0.1 g/cm3
    Boiling Point: 444.2±30.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.1 mmHg at 25°C
    Enthalpy of Vaporization: 70.2±3.0 kJ/mol
    Flash Point: 222.5±24.6 °C
    Index of Refraction: 1.575
    Molar Refractivity: 73.9±0.3 cm3
    #H bond acceptors: 4
    #H bond donors: 1
    #Freely Rotating Bonds: 6
    #Rule of 5 Violations: 0
    ACD/LogP: 3.90
    ACD/LogD (pH 5.5): 3.00
    ACD/BCF (pH 5.5): 112.19
    ACD/KOC (pH 5.5): 1020.89
    ACD/LogD (pH 7.4): 3.00
    ACD/BCF (pH 7.4): 112.19
    ACD/KOC (pH 7.4): 1020.88
    Polar Surface Area: 55 Å2
    Polarizability: 29.3±0.5 10-24cm3
    Surface Tension: 46.9±3.0 dyne/cm
    Molar Volume: 223.5±3.0 cm3

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