ChemSpider 2D Image | 1'-[2-(2,4-Dichlorophenoxy)propanoyl]-6-methoxyspiro[chromene-2,3'-pyrrolidin]-4(3H)-one | C22H21Cl2NO5

1'-[2-(2,4-Dichlorophenoxy)propanoyl]-6-methoxyspiro[chromene-2,3'-pyrrolidin]-4(3H)-one

  • Molecular FormulaC22H21Cl2NO5
  • Average mass450.312 Da
  • Monoisotopic mass449.079681 Da
  • ChemSpider ID34583665

More details:

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

1'-[2-(2,4-Dichlorophenoxy)propanoyl]-6-methoxyspiro[chromene-2,3'-pyrrolidin]-4(3H)-one [ACD/IUPAC Name]
1'-[2-(2,4-Dichlorophénoxy)propanoyl]-6-méthoxyspiro[chromene-2,3'-pyrrolidin]-4(3H)-one [French] [ACD/IUPAC Name]
1'-[2-(2,4-Dichlorphenoxy)propanoyl]-6-methoxyspiro[chromene-2,3'-pyrrolidin]-4(3H)-on [German] [ACD/IUPAC Name]
Spiro[2H-1-benzopyran-2,3'-pyrrolidin]-4(3H)-one, 1'-[2-(2,4-dichlorophenoxy)-1-oxopropyl]-6-methoxy- [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: 645.6±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 95.2±3.0 kJ/mol
Flash Point: 344.2±31.5 °C
Index of Refraction: 1.631
Molar Refractivity: 112.7±0.4 cm3
#H bond acceptors: 6
#H bond donors: 0
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 4.74
ACD/LogD (pH 5.5): 4.51
ACD/BCF (pH 5.5): 1587.32
ACD/KOC (pH 5.5): 6801.96
ACD/LogD (pH 7.4): 4.51
ACD/BCF (pH 7.4): 1587.32
ACD/KOC (pH 7.4): 6801.97
Polar Surface Area: 65 Å2
Polarizability: 44.7±0.5 10-24cm3
Surface Tension: 60.5±5.0 dyne/cm
Molar Volume: 316.2±5.0 cm3

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