ChemSpider 2D Image | 3-Cyano-4-fluorobenzenesulfinic acid | C7H4FNO2S

3-Cyano-4-fluorobenzenesulfinic acid

  • Molecular FormulaC7H4FNO2S
  • Average mass185.176 Da
  • Monoisotopic mass184.994675 Da
  • ChemSpider ID61295393

More details:

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

3-Cyan-4-fluorbenzolsulfinsäure [German] [ACD/IUPAC Name]
3-Cyano-4-fluorobenzenesulfinic acid [ACD/IUPAC Name]
Acide 3-cyano-4-fluorobenzènesulfinique [French] [ACD/IUPAC Name]
Benzenesulfinic acid, 3-cyano-4-fluoro- [ACD/Index Name]
1233544-10-9 [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: 403.0±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.0 mmHg at 25°C
Enthalpy of Vaporization: 69.0±3.0 kJ/mol
Flash Point: 197.5±31.5 °C
Index of Refraction: 1.664
Molar Refractivity: 41.8±0.4 cm3
#H bond acceptors: 3
#H bond donors: 1
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: -0.22
ACD/LogD (pH 5.5): -3.14
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -3.20
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 80 Å2
Polarizability: 16.6±0.5 10-24cm3
Surface Tension: 91.1±5.0 dyne/cm
Molar Volume: 112.9±5.0 cm3

Click to predict properties on the Chemicalize site


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