ChemSpider 2D Image | {4-[(3-Chloro-4-isobutoxy-5-methoxybenzoyl)amino]tetrahydro-2H-pyran-4-yl}acetic acid | C19H26ClNO6

{4-[(3-Chloro-4-isobutoxy-5-methoxybenzoyl)amino]tetrahydro-2H-pyran-4-yl}acetic acid

  • Molecular FormulaC19H26ClNO6
  • Average mass399.866 Da
  • Monoisotopic mass399.144867 Da
  • ChemSpider ID53687240

More details:

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

{4-[(3-Chlor-4-isobutoxy-5-methoxybenzoyl)amino]tetrahydro-2H-pyran-4-yl}essigsäure [German] [ACD/IUPAC Name]
{4-[(3-Chloro-4-isobutoxy-5-methoxybenzoyl)amino]tetrahydro-2H-pyran-4-yl}acetic acid [ACD/IUPAC Name]
2H-Pyran-4-acetic acid, 4-[[3-chloro-5-methoxy-4-(2-methylpropoxy)benzoyl]amino]tetrahydro- [ACD/Index Name]
Acide {4-[(3-chloro-4-isobutoxy-5-méthoxybenzoyl)amino]tétrahydro-2H-pyran-4-yl}acétique [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: 537.4±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: 278.8±30.1 °C
Index of Refraction: 1.556
Molar Refractivity: 100.3±0.4 cm3
#H bond acceptors: 7
#H bond donors: 2
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 0
ACD/LogP: 2.95
ACD/LogD (pH 5.5): 1.74
ACD/BCF (pH 5.5): 6.96
ACD/KOC (pH 5.5): 70.23
ACD/LogD (pH 7.4): -0.06
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.11
Polar Surface Area: 94 Å2
Polarizability: 39.8±0.5 10-24cm3
Surface Tension: 52.2±5.0 dyne/cm
Molar Volume: 312.4±5.0 cm3

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