ChemSpider 2D Image | 3-Fluoro-4-isocyanato-5-sulfanylphenol | C7H4FNO2S

3-Fluoro-4-isocyanato-5-sulfanylphenol

  • Molecular FormulaC7H4FNO2S
  • Average mass185.176 Da
  • Monoisotopic mass184.994675 Da
  • ChemSpider ID75637305

More details:

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

3-Fluor-4-isocyanato-5-sulfanylphenol [German] [ACD/IUPAC Name]
3-Fluoro-4-isocyanato-5-sulfanylphenol [ACD/IUPAC Name]
3-Fluoro-4-isocyanato-5-sulfanylphénol [French] [ACD/IUPAC Name]
Phenol, 3-fluoro-4-isocyanato-5-mercapto- [ACD/Index Name]

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

Density: 1.5±0.1 g/cm3
Boiling Point: 338.5±42.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.8 mmHg at 25°C
Enthalpy of Vaporization: 60.5±3.0 kJ/mol
Flash Point: 158.5±27.9 °C
Index of Refraction: 1.610
Molar Refractivity: 44.2±0.5 cm3
#H bond acceptors: 3
#H bond donors: 1
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: 2.71
ACD/LogD (pH 5.5): 2.20
ACD/BCF (pH 5.5): 20.62
ACD/KOC (pH 5.5): 213.38
ACD/LogD (pH 7.4): 0.49
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 4.18
Polar Surface Area: 88 Å2
Polarizability: 17.5±0.5 10-24cm3
Surface Tension: 44.8±7.0 dyne/cm
Molar Volume: 127.5±7.0 cm3

Click to predict properties on the Chemicalize site


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