ChemSpider 2D Image | 2-(1,3-Benzothiazol-2-yl)-4-fluorophenol | C13H8FNOS

2-(1,3-Benzothiazol-2-yl)-4-fluorophenol

  • Molecular FormulaC13H8FNOS
  • Average mass245.272 Da
  • Monoisotopic mass245.031067 Da
  • ChemSpider ID13257829

More details:

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

2-(1,3-Benzothiazol-2-yl)-4-fluorophenol [ACD/IUPAC Name]
2-(1,3-Benzothiazol-2-yl)-4-fluorophénol [French] [ACD/IUPAC Name]
2-(1,3-Benzothiazol-2-yl)-4-fluorphenol [German] [ACD/IUPAC Name]
Phenol, 2-(2-benzothiazolyl)-4-fluoro- [ACD/Index Name]
2-(Benzo[d]thiazol-2-yl)-4-fluorophenol
4-fluoro-2-(benzothiazole-2-yl)phenol
90481-42-8 [RN]
  • Miscellaneous

    • Chemical Class:

      A member of the class of benzothiazoles that is 1,3-benzothiazole in which the hydrogen at position 2 has been replaced by a 5-fluoro-2-hydroxyphenyl group. ChEBI CHEBI:142485

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

Density: 1.4±0.0 g/cm3
Boiling Point: 416.7±0.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.0 mmHg at 25°C
Enthalpy of Vaporization: 69.6±0.0 kJ/mol
Flash Point: 205.8±0.0 °C
Index of Refraction: 1.696
Molar Refractivity: 67.0±0.0 cm3
#H bond acceptors: 2
#H bond donors: 1
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 3.88
ACD/LogD (pH 5.5): 3.88
ACD/BCF (pH 5.5): 519.19
ACD/KOC (pH 5.5): 3052.46
ACD/LogD (pH 7.4): 3.74
ACD/BCF (pH 7.4): 379.12
ACD/KOC (pH 7.4): 2228.95
Polar Surface Area: 61 Å2
Polarizability: 26.6±0.0 10-24cm3
Surface Tension: 59.6±0.0 dyne/cm
Molar Volume: 174.2±0.0 cm3

Click to predict properties on the Chemicalize site


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