ChemSpider 2D Image | Methyl (2-carbamoyl-5-chloro-7H-indol-3-yl){3-[(E)-2-cyanovinyl]-5-methylphenyl}phosphinate | C20H17ClN3O3P

Methyl (2-carbamoyl-5-chloro-7H-indol-3-yl){3-[(E)-2-cyanovinyl]-5-methylphenyl}phosphinate

  • Molecular FormulaC20H17ClN3O3P
  • Average mass413.794 Da
  • Monoisotopic mass413.069611 Da
  • ChemSpider ID111272073

  • Double-bond stereo - Double-bond stereo

More details:

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

(2-Carbamoyl-5-chloro-7H-indol-3-yl){3-[(E)-2-cyanovinyl]-5-méthylphényl}phosphinate de méthyle [French] [ACD/IUPAC Name]
Methyl (2-carbamoyl-5-chloro-7H-indol-3-yl){3-[(E)-2-cyanovinyl]-5-methylphenyl}phosphinate [ACD/IUPAC Name]
Methyl-(2-carbamoyl-5-chlor-7H-indol-3-yl){3-[(E)-2-cyanvinyl]-5-methylphenyl}phosphinat [German] [ACD/IUPAC Name]
Phosphinic acid, P-[2-(aminocarbonyl)-5-chloro-7H-indol-3-yl]-P-[3-[(E)-2-cyanoethenyl]-5-methylphenyl]-, methyl ester [ACD/Index Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 592.9±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 88.4±3.0 kJ/mol
Flash Point: 312.4±32.9 °C
Index of Refraction: 1.651
Molar Refractivity: 108.1±0.5 cm3
#H bond acceptors: 6
#H bond donors: 2
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 1.12
ACD/LogD (pH 5.5): 1.68
ACD/BCF (pH 5.5): 11.19
ACD/KOC (pH 5.5): 196.03
ACD/LogD (pH 7.4): 1.68
ACD/BCF (pH 7.4): 11.19
ACD/KOC (pH 7.4): 196.04
Polar Surface Area: 115 Å2
Polarizability: 42.9±0.5 10-24cm3
Surface Tension: 56.7±7.0 dyne/cm
Molar Volume: 296.2±7.0 cm3

Click to predict properties on the Chemicalize site


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