ChemSpider 2D Image | MFCD06738663 | C12H10BrNO3

MFCD06738663

  • Molecular FormulaC12H10BrNO3
  • Average mass296.117 Da
  • Monoisotopic mass294.984406 Da
  • ChemSpider ID28595456

More details:

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

4-Oxazolecarboxylic acid, 5-(3-bromophenyl)-, ethyl ester [ACD/Index Name]
5-(3-Bromophényl)-1,3-oxazole-4-carboxylate d'éthyle [French] [ACD/IUPAC Name]
5-(3-BROMO-PHENYL)-OXAZOLE-4-CARBOXYLIC ACID ETHYL ESTER
885274-09-9 [RN]
Ethyl 5-(3-bromophenyl)-1,3-oxazole-4-carboxylate [ACD/IUPAC Name]
Ethyl 5-(3-bromophenyl)oxazole-4-carboxylate
Ethyl-5-(3-bromphenyl)-1,3-oxazol-4-carboxylat [German] [ACD/IUPAC Name]
MFCD06738663
[885274-09-9] [RN]
4-OXAZOLECARBOXYLICACID, 5-(3-BROMOPHENYL)-, ETHYL ESTER
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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: 399.7±32.0 °C at 760 mmHg
    Vapour Pressure: 0.0±0.9 mmHg at 25°C
    Enthalpy of Vaporization: 65.0±3.0 kJ/mol
    Flash Point: 195.5±25.1 °C
    Index of Refraction: 1.562
    Molar Refractivity: 65.3±0.3 cm3
    #H bond acceptors: 4
    #H bond donors: 0
    #Freely Rotating Bonds: 4
    #Rule of 5 Violations: 0
    ACD/LogP: 2.76
    ACD/LogD (pH 5.5): 2.98
    ACD/BCF (pH 5.5): 107.74
    ACD/KOC (pH 5.5): 991.71
    ACD/LogD (pH 7.4): 2.98
    ACD/BCF (pH 7.4): 107.74
    ACD/KOC (pH 7.4): 991.71
    Polar Surface Area: 52 Å2
    Polarizability: 25.9±0.5 10-24cm3
    Surface Tension: 45.9±3.0 dyne/cm
    Molar Volume: 201.3±3.0 cm3

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