ChemSpider 2D Image | Methyl 7-[4-(methoxycarbonyl)-2-nitrophenoxy]-2,2-diphenyl-1,3-benzodioxole-5-carboxylate | C29H21NO9

Methyl 7-[4-(methoxycarbonyl)-2-nitrophenoxy]-2,2-diphenyl-1,3-benzodioxole-5-carboxylate

  • Molecular FormulaC29H21NO9
  • Average mass527.478 Da
  • Monoisotopic mass527.121643 Da
  • ChemSpider ID9082778

More details:

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

1,3-Benzodioxole-5-carboxylic acid, 7-[4-(methoxycarbonyl)-2-nitrophenoxy]-2,2-diphenyl-, methyl ester [ACD/Index Name]
7-[4-(Méthoxycarbonyl)-2-nitrophénoxy]-2,2-diphényl-1,3-benzodioxole-5-carboxylate de méthyle [French] [ACD/IUPAC Name]
Methyl 7-[4-(methoxycarbonyl)-2-nitrophenoxy]-2,2-diphenyl-1,3-benzodioxole-5-carboxylate [ACD/IUPAC Name]
Methyl-7-[4-(methoxycarbonyl)-2-nitrophenoxy]-2,2-diphenyl-1,3-benzodioxol-5-carboxylat [German] [ACD/IUPAC 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: 644.8±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 95.1±3.0 kJ/mol
Flash Point: 235.3±33.5 °C
Index of Refraction: 1.633
Molar Refractivity: 137.7±0.3 cm3
#H bond acceptors: 10
#H bond donors: 0
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 2
ACD/LogP: 4.81
ACD/LogD (pH 5.5): 5.14
ACD/BCF (pH 5.5): 4755.77
ACD/KOC (pH 5.5): 14919.25
ACD/LogD (pH 7.4): 5.14
ACD/BCF (pH 7.4): 4755.77
ACD/KOC (pH 7.4): 14919.25
Polar Surface Area: 126 Å2
Polarizability: 54.6±0.5 10-24cm3
Surface Tension: 59.3±3.0 dyne/cm
Molar Volume: 385.6±3.0 cm3

Click to predict properties on the Chemicalize site


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