ChemSpider 2D Image | Methyl 3-bromo-4-carbamoylbenzoate | C9H8BrNO3

Methyl 3-bromo-4-carbamoylbenzoate

  • Molecular FormulaC9H8BrNO3
  • Average mass258.069 Da
  • Monoisotopic mass256.968750 Da
  • ChemSpider ID28420231

More details:

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

3-Bromo-4-carbamoylbenzoate de méthyle [French] [ACD/IUPAC Name]
Benzoic acid, 4-(aminocarbonyl)-3-bromo-, methyl ester [ACD/Index Name]
Methyl 3-bromo-4-carbamoylbenzoate [ACD/IUPAC Name]
Methyl-3-brom-4-carbamoylbenzoat [German] [ACD/IUPAC Name]
[1149388-50-0] [RN]
1149388-50-0 [RN]
Methyl3-bromo-4-carbamoylbenzoate
METHYL-3-BROMO-4-CARBAMOYLBENZOATE
MFCD23135694

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

    Density: 1.6±0.1 g/cm3
    Boiling Point: 349.4±32.0 °C at 760 mmHg
    Vapour Pressure: 0.0±0.8 mmHg at 25°C
    Enthalpy of Vaporization: 59.4±3.0 kJ/mol
    Flash Point: 165.1±25.1 °C
    Index of Refraction: 1.589
    Molar Refractivity: 54.6±0.3 cm3
    #H bond acceptors: 4
    #H bond donors: 2
    #Freely Rotating Bonds: 3
    #Rule of 5 Violations: 0
    ACD/LogP: 1.05
    ACD/LogD (pH 5.5): 1.10
    ACD/BCF (pH 5.5): 4.05
    ACD/KOC (pH 5.5): 94.75
    ACD/LogD (pH 7.4): 1.10
    ACD/BCF (pH 7.4): 4.05
    ACD/KOC (pH 7.4): 94.75
    Polar Surface Area: 69 Å2
    Polarizability: 21.7±0.5 10-24cm3
    Surface Tension: 52.7±3.0 dyne/cm
    Molar Volume: 162.2±3.0 cm3

    Click to predict properties on the Chemicalize site


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