ChemSpider 2D Image | 4-[(4-Butoxy-3-chloro-5-ethoxybenzoyl)amino]tetrahydro-2H-pyran-4-carboxylic acid | C19H26ClNO6

4-[(4-Butoxy-3-chloro-5-ethoxybenzoyl)amino]tetrahydro-2H-pyran-4-carboxylic acid

  • Molecular FormulaC19H26ClNO6
  • Average mass399.866 Da
  • Monoisotopic mass399.144867 Da
  • ChemSpider ID58045386

More details:

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

2H-Pyran-4-carboxylic acid, 4-[(4-butoxy-3-chloro-5-ethoxybenzoyl)amino]tetrahydro- [ACD/Index Name]
4-[(4-Butoxy-3-chlor-5-ethoxybenzoyl)amino]tetrahydro-2H-pyran-4-carbonsäure [German] [ACD/IUPAC Name]
4-[(4-Butoxy-3-chloro-5-ethoxybenzoyl)amino]tetrahydro-2H-pyran-4-carboxylic acid [ACD/IUPAC Name]
Acide 4-[(4-butoxy-3-chloro-5-éthoxybenzoyl)amino]tétrahydro-2H-pyrane-4-carboxylique [French] [ACD/IUPAC Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 537.5±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 85.7±3.0 kJ/mol
Flash Point: 278.9±30.1 °C
Index of Refraction: 1.557
Molar Refractivity: 100.4±0.4 cm3
#H bond acceptors: 7
#H bond donors: 2
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 0
ACD/LogP: 3.59
ACD/LogD (pH 5.5): 0.91
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 9.08
ACD/LogD (pH 7.4): -0.61
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 94 Å2
Polarizability: 39.8±0.5 10-24cm3
Surface Tension: 53.1±5.0 dyne/cm
Molar Volume: 311.7±5.0 cm3

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