ChemSpider 2D Image | 4-[1-Allyl-7-(trifluoromethyl)-1,2-dihydro-3H-indazol-3-ylidene]-3-hydroxy-2,5-cyclohexadien-1-one | C17H13F3N2O2

4-[1-Allyl-7-(trifluoromethyl)-1,2-dihydro-3H-indazol-3-ylidene]-3-hydroxy-2,5-cyclohexadien-1-one

  • Molecular FormulaC17H13F3N2O2
  • Average mass334.293 Da
  • Monoisotopic mass334.092926 Da
  • ChemSpider ID57559298

More details:

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

2,5-Cyclohexadien-1-one, 4-[1,2-dihydro-1-(2-propen-1-yl)-7-(trifluoromethyl)-3H-indazol-3-ylidene]-3-hydroxy- [ACD/Index Name]
4-[1-Allyl-7-(trifluormethyl)-1,2-dihydro-3H-indazol-3-yliden]-3-hydroxy-2,5-cyclohexadien-1-on [German] [ACD/IUPAC Name]
4-[1-Allyl-7-(trifluoromethyl)-1,2-dihydro-3H-indazol-3-ylidene]-3-hydroxy-2,5-cyclohexadien-1-one [ACD/IUPAC Name]
4-[1-Allyl-7-(trifluorométhyl)-1,2-dihydro-3H-indazol-3-ylidène]-3-hydroxy-2,5-cyclohexadién-1-one [French] [ACD/IUPAC Name]
3-Hydroxy-4-[1-(prop-2-en-1-yl)-7-(trifluoromethyl)-1,2-dihydro-3H-indazol-3-ylidene]cyclohexa-2,5-dien-1-one
669764-18-5 [RN]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 396.1±52.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.0 mmHg at 25°C
Enthalpy of Vaporization: 68.2±3.0 kJ/mol
Flash Point: 193.4±30.7 °C
Index of Refraction: 1.603
Molar Refractivity: 81.0±0.3 cm3
#H bond acceptors: 4
#H bond donors: 2
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 1.70
ACD/LogD (pH 5.5): 1.21
ACD/BCF (pH 5.5): 3.18
ACD/KOC (pH 5.5): 47.49
ACD/LogD (pH 7.4): -0.56
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 53 Å2
Polarizability: 32.1±0.5 10-24cm3
Surface Tension: 48.8±3.0 dyne/cm
Molar Volume: 235.8±3.0 cm3

Click to predict properties on the Chemicalize site


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