ChemSpider 2D Image | 4-[5-(Trifluoromethyl)-1,2,4-oxadiazol-3-yl]aniline | C9H6F3N3O

4-[5-(Trifluoromethyl)-1,2,4-oxadiazol-3-yl]aniline

  • Molecular FormulaC9H6F3N3O
  • Average mass229.159 Da
  • Monoisotopic mass229.046295 Da
  • ChemSpider ID25994306

More details:

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

4-[5-(Trifluormethyl)-1,2,4-oxadiazol-3-yl]anilin [German] [ACD/IUPAC Name]
4-[5-(Trifluoromethyl)-1,2,4-oxadiazol-3-yl]aniline [ACD/IUPAC Name]
4-[5-(Trifluorométhyl)-1,2,4-oxadiazol-3-yl]aniline [French] [ACD/IUPAC Name]
Benzenamine, 4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]- [ACD/Index Name]
4-(5-Trifluoromethyl-[1,2,4]oxadiazol-3-yl)-phenylamine
951806-14-7 [RN]
MFCD12191347 [MDL number]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 299.3±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 53.9±3.0 kJ/mol
Flash Point: 134.8±30.1 °C
Index of Refraction: 1.520
Molar Refractivity: 48.5±0.3 cm3
#H bond acceptors: 4
#H bond donors: 2
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 3.05
ACD/LogD (pH 5.5): 1.89
ACD/BCF (pH 5.5): 16.11
ACD/KOC (pH 5.5): 254.48
ACD/LogD (pH 7.4): 1.89
ACD/BCF (pH 7.4): 16.11
ACD/KOC (pH 7.4): 254.51
Polar Surface Area: 65 Å2
Polarizability: 19.2±0.5 10-24cm3
Surface Tension: 41.7±3.0 dyne/cm
Molar Volume: 159.8±3.0 cm3

Click to predict properties on the Chemicalize site


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