ChemSpider 2D Image | 4-{[4-(2,4-Dihydroxyphenyl)-1,3-thiazol-2-yl]amino}-2-(trifluoromethyl)benzonitrile | C17H10F3N3O2S

4-{[4-(2,4-Dihydroxyphenyl)-1,3-thiazol-2-yl]amino}-2-(trifluoromethyl)benzonitrile

  • Molecular FormulaC17H10F3N3O2S
  • Average mass377.340 Da
  • Monoisotopic mass377.044586 Da
  • ChemSpider ID26376636

More details:

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

4-{[4-(2,4-Dihydroxyphenyl)-1,3-thiazol-2-yl]amino}-2-(trifluormethyl)benzonitril [German] [ACD/IUPAC Name]
4-{[4-(2,4-Dihydroxyphenyl)-1,3-thiazol-2-yl]amino}-2-(trifluoromethyl)benzonitrile [ACD/IUPAC Name]
4-{[4-(2,4-Dihydroxyphényl)-1,3-thiazol-2-yl]amino}-2-(trifluorométhyl)benzonitrile [French] [ACD/IUPAC Name]
Benzonitrile, 4-[[4-(2,4-dihydroxyphenyl)-2-thiazolyl]amino]-2-(trifluoromethyl)- [ACD/Index Name]
4-[[4-(2,4-dihydroxyphenyl)thiazol-2-yl]amino]-2-(trifluoromethyl)benzonitrile

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

Density: 1.6±0.1 g/cm3
Boiling Point: 588.2±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 91.1±3.0 kJ/mol
Flash Point: 309.5±32.9 °C
Index of Refraction: 1.675
Molar Refractivity: 88.4±0.4 cm3
#H bond acceptors: 5
#H bond donors: 3
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 3.97
ACD/LogD (pH 5.5): 3.74
ACD/BCF (pH 5.5): 412.01
ACD/KOC (pH 5.5): 2585.97
ACD/LogD (pH 7.4): 3.58
ACD/BCF (pH 7.4): 285.07
ACD/KOC (pH 7.4): 1789.24
Polar Surface Area: 117 Å2
Polarizability: 35.0±0.5 10-24cm3
Surface Tension: 77.7±5.0 dyne/cm
Molar Volume: 235.2±5.0 cm3

Click to predict properties on the Chemicalize site


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