ChemSpider 2D Image | methyl 7-bromobenzo[d]oxazole-2-carboxylate | C9H6BrNO3

methyl 7-bromobenzo[d]oxazole-2-carboxylate

  • Molecular FormulaC9H6BrNO3
  • Average mass256.053 Da
  • Monoisotopic mass254.953094 Da
  • ChemSpider ID28189864

More details:

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

2-Benzoxazolecarboxylic acid, 7-bromo-, methyl ester [ACD/Index Name]
7-Bromo-1,3-benzoxazole-2-carboxylate de méthyle [French] [ACD/IUPAC Name]
954239-78-2 [RN]
Methyl 7-bromo-1,3-benzoxazole-2-carboxylate [ACD/IUPAC Name]
methyl 7-bromobenzo[d]oxazole-2-carboxylate
Methyl-7-brom-1,3-benzoxazol-2-carboxylat [German] [ACD/IUPAC Name]
[954239-78-2] [RN]
7-BROmobenZOOXAZOLE-2-CARBOXYLIC ACID METHYL ESTER
7-BROMO-BENZOOXAZOLE-2-CARBOXYLIC ACID METHYL ESTER
Methyl7-bromobenzo[d]oxazole-2-carboxylate
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

CCRIS 4693 [DBID]

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

    Density: 1.7±0.1 g/cm3
    Boiling Point: 330.4±34.0 °C at 760 mmHg
    Vapour Pressure: 0.0±0.7 mmHg at 25°C
    Enthalpy of Vaporization: 57.3±3.0 kJ/mol
    Flash Point: 153.6±25.7 °C
    Index of Refraction: 1.620
    Molar Refractivity: 54.0±0.3 cm3
    #H bond acceptors: 4
    #H bond donors: 0
    #Freely Rotating Bonds: 2
    #Rule of 5 Violations: 0
    ACD/LogP: 2.66
    ACD/LogD (pH 5.5): 2.36
    ACD/BCF (pH 5.5): 36.45
    ACD/KOC (pH 5.5): 456.56
    ACD/LogD (pH 7.4): 2.36
    ACD/BCF (pH 7.4): 36.45
    ACD/KOC (pH 7.4): 456.56
    Polar Surface Area: 52 Å2
    Polarizability: 21.4±0.5 10-24cm3
    Surface Tension: 53.0±3.0 dyne/cm
    Molar Volume: 153.6±3.0 cm3

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