ChemSpider 2D Image | [1-(3-Chloro-4-isobutoxy-5-methoxybenzoyl)-4-methoxy-2-pyrrolidinyl]acetic acid | C19H26ClNO6

[1-(3-Chloro-4-isobutoxy-5-methoxybenzoyl)-4-methoxy-2-pyrrolidinyl]acetic acid

  • Molecular FormulaC19H26ClNO6
  • Average mass399.866 Da
  • Monoisotopic mass399.144867 Da
  • ChemSpider ID63822504

More details:

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

[1-(3-Chlor-4-isobutoxy-5-methoxybenzoyl)-4-methoxy-2-pyrrolidinyl]essigsäure [German] [ACD/IUPAC Name]
[1-(3-Chloro-4-isobutoxy-5-methoxybenzoyl)-4-methoxy-2-pyrrolidinyl]acetic acid [ACD/IUPAC Name]
2-Pyrrolidineacetic acid, 1-[3-chloro-5-methoxy-4-(2-methylpropoxy)benzoyl]-4-methoxy- [ACD/Index Name]
Acide [1-(3-chloro-4-isobutoxy-5-méthoxybenzoyl)-4-méthoxy-2-pyrrolidinyl]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: 583.4±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 91.7±3.0 kJ/mol
Flash Point: 306.7±30.1 °C
Index of Refraction: 1.558
Molar Refractivity: 100.5±0.4 cm3
#H bond acceptors: 7
#H bond donors: 1
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 0
ACD/LogP: 2.89
ACD/LogD (pH 5.5): 1.75
ACD/BCF (pH 5.5): 7.32
ACD/KOC (pH 5.5): 75.82
ACD/LogD (pH 7.4): -0.05
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.19
Polar Surface Area: 85 Å2
Polarizability: 39.9±0.5 10-24cm3
Surface Tension: 51.8±5.0 dyne/cm
Molar Volume: 312.0±5.0 cm3

Click to predict properties on the Chemicalize site


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