ChemSpider 2D Image | 5-Bromo-2-methyloxazole-4-carboxylic acid | C5H4BrNO3

5-Bromo-2-methyloxazole-4-carboxylic acid

  • Molecular FormulaC5H4BrNO3
  • Average mass205.994 Da
  • Monoisotopic mass204.937454 Da
  • ChemSpider ID23346743

More details:

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

1209573-86-3 [RN]
4-Oxazolecarboxylic acid, 5-bromo-2-methyl- [ACD/Index Name]
5-Brom-2-methyl-1,3-oxazol-4-carbonsäure [German] [ACD/IUPAC Name]
5-Bromo-2-methyl-1,3-oxazole-4-carboxylic acid [ACD/IUPAC Name]
5-Bromo-2-methyloxazole-4-carboxylic acid
Acide 5-bromo-2-méthyl-1,3-oxazole-4-carboxylique [French] [ACD/IUPAC Name]
MFCD09999146 [MDL number]
(2,4-dimethylthiazol-5-yl)methanamine;5-(Aminomethyl)-2,4-dimethylthiazole
[1209573-86-3] [RN]
5-bromo-2-methyl-1,3-oxazole-4-carboxylicacid
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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: 1.9±0.1 g/cm3
    Boiling Point: 314.0±27.0 °C at 760 mmHg
    Vapour Pressure: 0.0±0.7 mmHg at 25°C
    Enthalpy of Vaporization: 58.6±3.0 kJ/mol
    Flash Point: 143.7±23.7 °C
    Index of Refraction: 1.567
    Molar Refractivity: 36.1±0.3 cm3
    #H bond acceptors: 4
    #H bond donors: 1
    #Freely Rotating Bonds: 1
    #Rule of 5 Violations: 0
    ACD/LogP: 0.03
    ACD/LogD (pH 5.5): -1.96
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 1.00
    ACD/LogD (pH 7.4): -2.29
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 1.00
    Polar Surface Area: 63 Å2
    Polarizability: 14.3±0.5 10-24cm3
    Surface Tension: 58.7±3.0 dyne/cm
    Molar Volume: 110.4±3.0 cm3

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