ChemSpider 2D Image | 4-({[2-(Trifluoromethyl)-1,3-benzoxazol-5-yl]carbonyl}amino)phenyl thiocyanate | C16H8F3N3O2S

4-({[2-(Trifluoromethyl)-1,3-benzoxazol-5-yl]carbonyl}amino)phenyl thiocyanate

  • Molecular FormulaC16H8F3N3O2S
  • Average mass363.314 Da
  • Monoisotopic mass363.028931 Da
  • ChemSpider ID112262416

More details:

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

4-({[2-(Trifluormethyl)-1,3-benzoxazol-5-yl]carbonyl}amino)phenylthiocyanat [German] [ACD/IUPAC Name]
4-({[2-(Trifluoromethyl)-1,3-benzoxazol-5-yl]carbonyl}amino)phenyl thiocyanate [ACD/IUPAC Name]
Thiocyanate de 4-({[2-(trifluorométhyl)-1,3-benzoxazol-5-yl]carbonyl}amino)phényle [French] [ACD/IUPAC Name]
Thiocyanic acid, 4-[[[2-(trifluoromethyl)-5-benzoxazolyl]carbonyl]amino]phenyl ester [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: 382.4±42.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.9 mmHg at 25°C
Enthalpy of Vaporization: 63.1±3.0 kJ/mol
Flash Point: 185.1±27.9 °C
Index of Refraction: 1.645
Molar Refractivity: 85.3±0.4 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 3.46
ACD/LogD (pH 5.5): 2.93
ACD/BCF (pH 5.5): 99.33
ACD/KOC (pH 5.5): 935.68
ACD/LogD (pH 7.4): 2.93
ACD/BCF (pH 7.4): 99.32
ACD/KOC (pH 7.4): 935.55
Polar Surface Area: 104 Å2
Polarizability: 33.8±0.5 10-24cm3
Surface Tension: 65.5±5.0 dyne/cm
Molar Volume: 235.1±5.0 cm3

Click to predict properties on the Chemicalize site


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