ChemSpider 2D Image | 5-{[(5-Bromo-2-methoxyphenyl)sulfanyl]methyl}-1,2-oxazole | C11H10BrNO2S

5-{[(5-Bromo-2-methoxyphenyl)sulfanyl]methyl}-1,2-oxazole

  • Molecular FormulaC11H10BrNO2S
  • Average mass300.172 Da
  • Monoisotopic mass298.961548 Da
  • ChemSpider ID30467843

More details:

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

5-{[(5-Brom-2-methoxyphenyl)sulfanyl]methyl}-1,2-oxazol [German] [ACD/IUPAC Name]
5-{[(5-Bromo-2-methoxyphenyl)sulfanyl]methyl}-1,2-oxazole [ACD/IUPAC Name]
5-{[(5-Bromo-2-méthoxyphényl)sulfanyl]méthyl}-1,2-oxazole [French] [ACD/IUPAC Name]
Isoxazole, 5-[[(5-bromo-2-methoxyphenyl)thio]methyl]- [ACD/Index Name]
1385364-21-5 [RN]

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

Density: 1.6±0.1 g/cm3
Boiling Point: 404.7±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.9 mmHg at 25°C
Enthalpy of Vaporization: 63.1±3.0 kJ/mol
Flash Point: 198.5±28.7 °C
Index of Refraction: 1.635
Molar Refractivity: 68.5±0.4 cm3
#H bond acceptors: 3
#H bond donors: 0
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 2.55
ACD/LogD (pH 5.5): 3.57
ACD/BCF (pH 5.5): 306.04
ACD/KOC (pH 5.5): 2093.77
ACD/LogD (pH 7.4): 3.57
ACD/BCF (pH 7.4): 306.04
ACD/KOC (pH 7.4): 2093.77
Polar Surface Area: 61 Å2
Polarizability: 27.1±0.5 10-24cm3
Surface Tension: 59.2±5.0 dyne/cm
Molar Volume: 191.2±5.0 cm3

Click to predict properties on the Chemicalize site


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