ChemSpider 2D Image | 6-(4-Fluorophenyl)-6H-benzo[b]indeno[1,2-e][1,4]thiazepin-5-ol | C22H14FNOS

6-(4-Fluorophenyl)-6H-benzo[b]indeno[1,2-e][1,4]thiazepin-5-ol

  • Molecular FormulaC22H14FNOS
  • Average mass359.416 Da
  • Monoisotopic mass359.078003 Da
  • ChemSpider ID34534289

More details:

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

6-(4-Fluorophenyl)-6H-benzo[b]indeno[1,2-e][1,4]thiazepin-5-ol [ACD/IUPAC Name]
6-(4-Fluorophényl)-6H-benzo[b]indéno[1,2-e][1,4]thiazépin-5-ol [French] [ACD/IUPAC Name]
6-(4-Fluorphenyl)-6H-benzo[b]indeno[1,2-e][1,4]thiazepin-5-ol [German] [ACD/IUPAC Name]
6H-Benz[b]indeno[1,2-e][1,4]thiazepin-5-ol, 6-(4-fluorophenyl)- [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: 537.3±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 85.7±3.0 kJ/mol
Flash Point: 278.8±30.1 °C
Index of Refraction: 1.708
Molar Refractivity: 102.8±0.5 cm3
#H bond acceptors: 2
#H bond donors: 1
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 1
ACD/LogP: 6.11
ACD/LogD (pH 5.5): 5.05
ACD/BCF (pH 5.5): 4084.27
ACD/KOC (pH 5.5): 13351.36
ACD/LogD (pH 7.4): 4.91
ACD/BCF (pH 7.4): 2900.41
ACD/KOC (pH 7.4): 9481.36
Polar Surface Area: 58 Å2
Polarizability: 40.7±0.5 10-24cm3
Surface Tension: 51.2±7.0 dyne/cm
Molar Volume: 263.5±7.0 cm3

Click to predict properties on the Chemicalize site


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