Found 528 results

Search term: MF = 'C_{22}H_{26}ClNO_{5}'
ChemSpider 2D Image | 6-Chloro-7-[2-(4a-hydroxyoctahydro-2(1H)-isoquinolinyl)-2-oxoethoxy]-3,4-dimethyl-2H-chromen-2-one | C22H26ClNO5

6-Chloro-7-[2-(4a-hydroxyoctahydro-2(1H)-isoquinolinyl)-2-oxoethoxy]-3,4-dimethyl-2H-chromen-2-one

  • Molecular FormulaC22H26ClNO5
  • Average mass419.898 Da
  • Monoisotopic mass419.149963 Da
  • ChemSpider ID30806378

More details:

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

2H-1-Benzopyran-2-one, 6-chloro-3,4-dimethyl-7-[2-(octahydro-4a-hydroxy-2(1H)-isoquinolinyl)-2-oxoethoxy]- [ACD/Index Name]
6-Chlor-7-[2-(4a-hydroxyoctahydro-2(1H)-isochinolinyl)-2-oxoethoxy]-3,4-dimethyl-2H-chromen-2-on [German] [ACD/IUPAC Name]
6-Chloro-7-[2-(4a-hydroxyoctahydro-2(1H)-isoquinoléinyl)-2-oxoéthoxy]-3,4-diméthyl-2H-chromén-2-one [French] [ACD/IUPAC Name]
6-Chloro-7-[2-(4a-hydroxyoctahydro-2(1H)-isoquinolinyl)-2-oxoethoxy]-3,4-dimethyl-2H-chromen-2-one [ACD/IUPAC Name]
1797732-58-1 [RN]
6-chloro-7-[2-(4a-hydroxyoctahydroisoquinolin-2(1H)-yl)-2-oxoethoxy]-3,4-dimethyl-2H-chromen-2-one
6-Chloro-7-[2-(4a-hydroxy-octahydro-isoquinolin-2-yl)-2-oxo-ethoxy]-3,4-dimethyl-chromen-2-one
7-[2-(4a-hydroxy-1,3,4,5,6,7,8,8a-octahydroisoquinolin-2-yl)-2-oxoethoxy]-6-chloro-3,4-dimethylchromen-2-one

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

Density: 1.3±0.1 g/cm3
Boiling Point: 642.3±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 99.6±3.0 kJ/mol
Flash Point: 342.2±31.5 °C
Index of Refraction: 1.597
Molar Refractivity: 107.9±0.3 cm3
#H bond acceptors: 6
#H bond donors: 1
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 3.71
ACD/LogD (pH 5.5): 3.63
ACD/BCF (pH 5.5): 338.74
ACD/KOC (pH 5.5): 2251.55
ACD/LogD (pH 7.4): 3.63
ACD/BCF (pH 7.4): 338.74
ACD/KOC (pH 7.4): 2251.55
Polar Surface Area: 76 Å2
Polarizability: 42.8±0.5 10-24cm3
Surface Tension: 54.2±3.0 dyne/cm
Molar Volume: 316.5±3.0 cm3

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