Found 1432 results

Search term: MF = 'C_{12}H_{12}BrNOS'
ChemSpider 2D Image | 4-{[(3-Bromophenyl)sulfanyl]methyl}-3,5-dimethyl-1,2-oxazole | C12H12BrNOS

4-{[(3-Bromophenyl)sulfanyl]methyl}-3,5-dimethyl-1,2-oxazole

  • Molecular FormulaC12H12BrNOS
  • Average mass298.199 Da
  • Monoisotopic mass296.982300 Da
  • ChemSpider ID62155966

More details:

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

4-{[(3-Bromophenyl)sulfanyl]methyl}-3,5-dimethyl-1,2-oxazole [ACD/IUPAC Name]
4-{[(3-Bromophényl)sulfanyl]méthyl}-3,5-diméthyl-1,2-oxazole [French] [ACD/IUPAC Name]
4-{[(3-Bromphenyl)sulfanyl]methyl}-3,5-dimethyl-1,2-oxazol [German] [ACD/IUPAC Name]
Isoxazole, 4-[[(3-bromophenyl)thio]methyl]-3,5-dimethyl- [ACD/Index Name]
1795507-14-0 [RN]

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

Density: 1.5±0.1 g/cm3
Boiling Point: 402.8±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.9 mmHg at 25°C
Enthalpy of Vaporization: 62.9±3.0 kJ/mol
Flash Point: 197.4±28.7 °C
Index of Refraction: 1.629
Molar Refractivity: 71.4±0.4 cm3
#H bond acceptors: 2
#H bond donors: 0
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 3.34
ACD/LogD (pH 5.5): 4.65
ACD/BCF (pH 5.5): 2007.36
ACD/KOC (pH 5.5): 8046.66
ACD/LogD (pH 7.4): 4.65
ACD/BCF (pH 7.4): 2007.36
ACD/KOC (pH 7.4): 8046.66
Polar Surface Area: 51 Å2
Polarizability: 28.3±0.5 10-24cm3
Surface Tension: 55.5±5.0 dyne/cm
Molar Volume: 200.9±5.0 cm3

Click to predict properties on the Chemicalize site


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