ChemSpider 2D Image | 1,3-Dioxo-2-[3-(trifluoromethyl)benzyl]-2,3-dihydro-1H-isoindol-4-yl 2-furoate | C21H12F3NO5

1,3-Dioxo-2-[3-(trifluoromethyl)benzyl]-2,3-dihydro-1H-isoindol-4-yl 2-furoate

  • Molecular FormulaC21H12F3NO5
  • Average mass415.319 Da
  • Monoisotopic mass415.066742 Da
  • ChemSpider ID120124172

More details:

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

1,3-Dioxo-2-[3-(trifluormethyl)benzyl]-2,3-dihydro-1H-isoindol-4-yl-2-furoat [German] [ACD/IUPAC Name]
1,3-Dioxo-2-[3-(trifluoromethyl)benzyl]-2,3-dihydro-1H-isoindol-4-yl 2-furoate [ACD/IUPAC Name]
2-Furancarboxylic acid, 2,3-dihydro-1,3-dioxo-2-[[3-(trifluoromethyl)phenyl]methyl]-1H-isoindol-4-yl ester [ACD/Index Name]
2-Furoate de 1,3-dioxo-2-[3-(trifluorométhyl)benzyl]-2,3-dihydro-1H-isoindol-4-yle [French] [ACD/IUPAC 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: 549.1±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 82.9±3.0 kJ/mol
Flash Point: 285.9±30.1 °C
Index of Refraction: 1.598
Molar Refractivity: 95.7±0.3 cm3
#H bond acceptors: 6
#H bond donors: 0
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 4.07
ACD/LogD (pH 5.5): 4.41
ACD/BCF (pH 5.5): 1334.18
ACD/KOC (pH 5.5): 6006.59
ACD/LogD (pH 7.4): 4.41
ACD/BCF (pH 7.4): 1334.18
ACD/KOC (pH 7.4): 6006.59
Polar Surface Area: 77 Å2
Polarizability: 38.0±0.5 10-24cm3
Surface Tension: 53.2±3.0 dyne/cm
Molar Volume: 280.6±3.0 cm3

Click to predict properties on the Chemicalize site


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