ChemSpider 2D Image | (1Z)-3-(4-Chlorophenoxy)-1-(6,7-dimethoxy-3,4-dihydro-1(2H)-isoquinolinylidene)-2-butanone | C21H22ClNO4

(1Z)-3-(4-Chlorophenoxy)-1-(6,7-dimethoxy-3,4-dihydro-1(2H)-isoquinolinylidene)-2-butanone

  • Molecular FormulaC21H22ClNO4
  • Average mass387.857 Da
  • Monoisotopic mass387.123749 Da
  • ChemSpider ID22881295
  • Double-bond stereo - Double-bond stereo


More details:






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

(1Z)-3-(4-Chlorophénoxy)-1-(6,7-diméthoxy-3,4-dihydro-1(2H)-isoquinoléinylidène)-2-butanone [French] [ACD/IUPAC Name]
(1Z)-3-(4-Chlorophenoxy)-1-(6,7-dimethoxy-3,4-dihydro-1(2H)-isoquinolinylidene)-2-butanone [ACD/IUPAC Name]
(1Z)-3-(4-Chlorphenoxy)-1-(6,7-dimethoxy-3,4-dihydro-1(2H)-isochinolinyliden)-2-butanon [German] [ACD/IUPAC Name]
2-Butanone, 3-(4-chlorophenoxy)-1-(3,4-dihydro-6,7-dimethoxy-1(2H)-isoquinolinylidene)-, (1Z)- [ACD/Index Name]
(1Z)-3-(4-chlorophenoxy)-1-(6,7-dimethoxy-3,4-dihydro-2H-isoquinolin-1-ylidene)butan-2-one
(1Z)-3-(4-chlorophenoxy)-1-(6,7-dimethoxy-3,4-dihydroisoquinolin-1(2H)-ylidene)butan-2-one
883950-78-5 [RN]
c21h22clno4

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.3±0.1 g/cm3
Boiling Point: 576.2±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 86.3±3.0 kJ/mol
Flash Point: 302.3±30.1 °C
Index of Refraction: 1.606
Molar Refractivity: 106.4±0.3 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 4.33
ACD/LogD (pH 5.5): 3.93
ACD/BCF (pH 5.5): 570.16
ACD/KOC (pH 5.5): 3227.92
ACD/LogD (pH 7.4): 3.95
ACD/BCF (pH 7.4): 595.42
ACD/KOC (pH 7.4): 3370.94
Polar Surface Area: 57 Å2
Polarizability: 42.2±0.5 10-24cm3
Surface Tension: 49.2±3.0 dyne/cm
Molar Volume: 308.4±3.0 cm3

Click to predict properties on the Chemicalize site






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