ChemSpider 2D Image | 2-[3-(2-Fluorophenyl)-3-oxopropyl]benzenecarbothialdehyde | C16H13FOS

2-[3-(2-Fluorophenyl)-3-oxopropyl]benzenecarbothialdehyde

  • Molecular FormulaC16H13FOS
  • Average mass272.337 Da
  • Monoisotopic mass272.067108 Da
  • ChemSpider ID44253814

More details:

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

2-[3-(2-Fluorophenyl)-3-oxopropyl]benzenecarbothialdehyde [ACD/IUPAC Name]
2-[3-(2-Fluorophényl)-3-oxopropyl]benzènecarbothialdéhyde [French] [ACD/IUPAC Name]
2-[3-(2-Fluorphenyl)-3-oxopropyl]benzolcarbothialdehyd [German] [ACD/IUPAC Name]
Benzenecarbothioaldehyde, 2-[3-(2-fluorophenyl)-3-oxopropyl]- [ACD/Index Name]
2'-fluoro-3-(2-thiomethylphenyl)propiophenone
898780-19-3 [RN]
MFCD03843228 [MDL number]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 430.4±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.0 mmHg at 25°C
Enthalpy of Vaporization: 68.6±3.0 kJ/mol
Flash Point: 214.1±31.5 °C
Index of Refraction: 1.635
Molar Refractivity: 79.4±0.3 cm3
#H bond acceptors: 1
#H bond donors: 0
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 3.18
ACD/LogD (pH 5.5): 3.53
ACD/BCF (pH 5.5): 282.91
ACD/KOC (pH 5.5): 1979.25
ACD/LogD (pH 7.4): 3.53
ACD/BCF (pH 7.4): 282.91
ACD/KOC (pH 7.4): 1979.25
Polar Surface Area: 49 Å2
Polarizability: 31.5±0.5 10-24cm3
Surface Tension: 52.7±3.0 dyne/cm
Molar Volume: 221.9±3.0 cm3

Click to predict properties on the Chemicalize site


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