ChemSpider 2D Image | 2-Bromo-4-[(3-methoxyphenyl)ethynyl]-1,3-thiazole | C12H8BrNOS

2-Bromo-4-[(3-methoxyphenyl)ethynyl]-1,3-thiazole

  • Molecular FormulaC12H8BrNOS
  • Average mass294.167 Da
  • Monoisotopic mass292.950989 Da
  • ChemSpider ID26383644

More details:

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

2-Brom-4-[(3-methoxyphenyl)ethinyl]-1,3-thiazol [German] [ACD/IUPAC Name]
2-Bromo-4-[(3-methoxyphenyl)ethynyl]-1,3-thiazole [ACD/IUPAC Name]
2-Bromo-4-[(3-méthoxyphényl)éthynyl]-1,3-thiazole [French] [ACD/IUPAC Name]
Thiazole, 2-bromo-4-[2-(3-methoxyphenyl)ethynyl]- [ACD/Index Name]
1262778-36-8 [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: 411.1±25.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.9 mmHg at 25°C
Enthalpy of Vaporization: 63.8±3.0 kJ/mol
Flash Point: 202.4±23.2 °C
Index of Refraction: 1.667
Molar Refractivity: 68.8±0.4 cm3
#H bond acceptors: 2
#H bond donors: 0
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 4.41
ACD/LogD (pH 5.5): 3.65
ACD/BCF (pH 5.5): 349.00
ACD/KOC (pH 5.5): 2300.15
ACD/LogD (pH 7.4): 3.65
ACD/BCF (pH 7.4): 349.00
ACD/KOC (pH 7.4): 2300.15
Polar Surface Area: 50 Å2
Polarizability: 27.3±0.5 10-24cm3
Surface Tension: 65.3±5.0 dyne/cm
Molar Volume: 184.7±5.0 cm3

Click to predict properties on the Chemicalize site


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