ChemSpider 2D Image | (3E)-3-(4-Chloro-3-nitrobenzylidene)-6-(trifluoromethyl)-2,3-dihydropyrrolo[2,1-b]quinazolin-9(1H)-one | C19H11ClF3N3O3

(3E)-3-(4-Chloro-3-nitrobenzylidene)-6-(trifluoromethyl)-2,3-dihydropyrrolo[2,1-b]quinazolin-9(1H)-one

  • Molecular FormulaC19H11ClF3N3O3
  • Average mass421.757 Da
  • Monoisotopic mass421.044098 Da
  • ChemSpider ID22917753

  • Double-bond stereo - Double-bond stereo

More details:

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

(3E)-3-(4-Chlor-3-nitrobenzyliden)-6-(trifluormethyl)-2,3-dihydropyrrolo[2,1-b]chinazolin-9(1H)-on [German] [ACD/IUPAC Name]
(3E)-3-(4-Chloro-3-nitrobenzylidene)-6-(trifluoromethyl)-2,3-dihydropyrrolo[2,1-b]quinazolin-9(1H)-one [ACD/IUPAC Name]
(3E)-3-(4-Chloro-3-nitrobenzylidène)-6-(trifluorométhyl)-2,3-dihydropyrrolo[2,1-b]quinazolin-9(1H)-one [French] [ACD/IUPAC Name]
Pyrrolo[2,1-b]quinazolin-9(1H)-one, 3-[(4-chloro-3-nitrophenyl)methylene]-2,3-dihydro-6-(trifluoromethyl)-, (3E)- [ACD/Index Name]

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

Density: 1.6±0.1 g/cm3
Boiling Point: 568.8±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 85.3±3.0 kJ/mol
Flash Point: 297.8±32.9 °C
Index of Refraction: 1.661
Molar Refractivity: 98.2±0.5 cm3
#H bond acceptors: 6
#H bond donors: 0
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 4.11
ACD/LogD (pH 5.5): 4.70
ACD/BCF (pH 5.5): 2181.28
ACD/KOC (pH 5.5): 8539.78
ACD/LogD (pH 7.4): 4.70
ACD/BCF (pH 7.4): 2181.28
ACD/KOC (pH 7.4): 8539.78
Polar Surface Area: 78 Å2
Polarizability: 38.9±0.5 10-24cm3
Surface Tension: 53.3±7.0 dyne/cm
Molar Volume: 265.8±7.0 cm3

Click to predict properties on the Chemicalize site


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