Found 63 results

Search term: MF = 'C_{21}H_{13}NO_{2}'
ChemSpider 2D Image | 1-Methyl-2-(phenylethynyl)-1H-benzo[f]indole-4,9-dione | C21H13NO2

1-Methyl-2-(phenylethynyl)-1H-benzo[f]indole-4,9-dione

  • Molecular FormulaC21H13NO2
  • Average mass311.333 Da
  • Monoisotopic mass311.094635 Da
  • ChemSpider ID28551918

More details:

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

1H-Benz[f]indole-4,9-dione, 1-methyl-2-(2-phenylethynyl)- [ACD/Index Name]
1-Methyl-2-(phenylethinyl)-1H-benzo[f]indol-4,9-dion [German] [ACD/IUPAC Name]
1-Methyl-2-(phenylethynyl)-1H-benzo[f]indole-4,9-dione [ACD/IUPAC Name]
1-Méthyl-2-(phényléthynyl)-1H-benzo[f]indole-4,9-dione [French] [ACD/IUPAC Name]
1H-BENZ[F]INDOLE-4,9-DIONE, 1-METHYL-2-(PHENYLETHYNYL)-
1-methyl-2-(2-phenylethynyl)-1H,4H,9H-benzo[f]indole-4,9-dione
1-methyl-2-(2-phenylethynyl)benzo[f]indole-4,9-dione
830924-98-6 [RN]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 551.5±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 83.2±3.0 kJ/mol
Flash Point: 287.3±30.1 °C
Index of Refraction: 1.645
Molar Refractivity: 94.6±0.5 cm3
#H bond acceptors: 3
#H bond donors: 0
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 4.94
ACD/LogD (pH 5.5): 4.36
ACD/BCF (pH 5.5): 1221.79
ACD/KOC (pH 5.5): 5639.89
ACD/LogD (pH 7.4): 4.36
ACD/BCF (pH 7.4): 1221.79
ACD/KOC (pH 7.4): 5639.89
Polar Surface Area: 39 Å2
Polarizability: 37.5±0.5 10-24cm3
Surface Tension: 47.1±7.0 dyne/cm
Molar Volume: 261.0±7.0 cm3

Click to predict properties on the Chemicalize site


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