ChemSpider 2D Image | Methyl 5-acetyl-2-bromobenzoate | C10H9BrO3

Methyl 5-acetyl-2-bromobenzoate

  • Molecular FormulaC10H9BrO3
  • Average mass257.081 Da
  • Monoisotopic mass255.973495 Da
  • ChemSpider ID24748606

More details:

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

1263286-07-2 [RN]
5-Acétyl-2-bromobenzoate de méthyle [French] [ACD/IUPAC Name]
Benzoic acid, 5-acetyl-2-bromo-, methyl ester [ACD/Index Name]
Methyl 5-acetyl-2-bromobenzoate [ACD/IUPAC Name]
Methyl-5-acetyl-2-brombenzoat [German] [ACD/IUPAC Name]
5-ACETYL-2-BROMO-BENZOIC ACID METHYL ESTER
70958-70-2 [RN]
AGN-PC-080FLA
AJ-116041
AK141320
More...

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

    Density: 1.5±0.1 g/cm3
    Boiling Point: 349.5±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: 165.2±25.1 °C
    Index of Refraction: 1.550
    Molar Refractivity: 55.7±0.3 cm3
    #H bond acceptors: 3
    #H bond donors: 0
    #Freely Rotating Bonds: 3
    #Rule of 5 Violations: 0
    ACD/LogP: 2.26
    ACD/LogD (pH 5.5): 2.51
    ACD/BCF (pH 5.5): 47.26
    ACD/KOC (pH 5.5): 549.77
    ACD/LogD (pH 7.4): 2.51
    ACD/BCF (pH 7.4): 47.26
    ACD/KOC (pH 7.4): 549.77
    Polar Surface Area: 43 Å2
    Polarizability: 22.1±0.5 10-24cm3
    Surface Tension: 42.8±3.0 dyne/cm
    Molar Volume: 175.0±3.0 cm3

    Click to predict properties on the Chemicalize site


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