ChemSpider 2D Image | 1-(3-Bromo-4-methoxyphenyl)-3-[(2-methylphenyl)sulfanyl]acetone | C17H17BrO2S

1-(3-Bromo-4-methoxyphenyl)-3-[(2-methylphenyl)sulfanyl]acetone

  • Molecular FormulaC17H17BrO2S
  • Average mass365.285 Da
  • Monoisotopic mass364.013245 Da
  • ChemSpider ID71493100

More details:

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

1-(3-Brom-4-methoxyphenyl)-3-[(2-methylphenyl)sulfanyl]aceton [German] [ACD/IUPAC Name]
1-(3-Bromo-4-methoxyphenyl)-3-[(2-methylphenyl)sulfanyl]acetone [ACD/IUPAC Name]
1-(3-Bromo-4-méthoxyphényl)-3-[(2-méthylphényl)sulfanyl]acétone [French] [ACD/IUPAC Name]
2-Propanone, 1-(3-bromo-4-methoxyphenyl)-3-[(2-methylphenyl)thio]- [ACD/Index Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 450.9±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.1 mmHg at 25°C
Enthalpy of Vaporization: 71.0±3.0 kJ/mol
Flash Point: 226.5±28.7 °C
Index of Refraction: 1.623
Molar Refractivity: 92.2±0.4 cm3
#H bond acceptors: 2
#H bond donors: 0
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 4.68
ACD/LogD (pH 5.5): 4.58
ACD/BCF (pH 5.5): 1778.31
ACD/KOC (pH 5.5): 7378.23
ACD/LogD (pH 7.4): 4.58
ACD/BCF (pH 7.4): 1778.31
ACD/KOC (pH 7.4): 7378.23
Polar Surface Area: 52 Å2
Polarizability: 36.5±0.5 10-24cm3
Surface Tension: 52.4±5.0 dyne/cm
Molar Volume: 261.4±5.0 cm3

Click to predict properties on the Chemicalize site


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