ChemSpider 2D Image | MFCD07799326 | C20H20ClNO

MFCD07799326

  • Molecular FormulaC20H20ClNO
  • Average mass325.832 Da
  • Monoisotopic mass325.123352 Da
  • ChemSpider ID21491180

More details:

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

1(2H)-Isoquinolinone, 7-chloro-2-[[4-(1,1-dimethylethyl)phenyl]methyl]- [ACD/Index Name]
2-(4-(tert-Butyl)benzyl)-7-chloroisoquinolin-1(2H)-one
2-(4-TERT-BUTYLBENZYL)-7-CHLORO-1(2H)-ISOQUINOLINONE
7-Chlor-2-[4-(2-methyl-2-propanyl)benzyl]-1(2H)-isochinolinon [German] [ACD/IUPAC Name]
7-Chloro-2-[4-(2-méthyl-2-propanyl)benzyl]-1(2H)-isoquinoléinone [French] [ACD/IUPAC Name]
7-Chloro-2-[4-(2-methyl-2-propanyl)benzyl]-1(2H)-isoquinolinone [ACD/IUPAC Name]
853319-72-9 [RN]
MFCD07799326

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

Density: 1.2±0.1 g/cm3
Boiling Point: 484.9±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 75.0±3.0 kJ/mol
Flash Point: 247.0±28.7 °C
Index of Refraction: 1.603
Molar Refractivity: 94.2±0.3 cm3
#H bond acceptors: 2
#H bond donors: 0
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 1
ACD/LogP: 5.75
ACD/LogD (pH 5.5): 5.29
ACD/BCF (pH 5.5): 6189.63
ACD/KOC (pH 5.5): 18016.27
ACD/LogD (pH 7.4): 5.29
ACD/BCF (pH 7.4): 6189.63
ACD/KOC (pH 7.4): 18016.27
Polar Surface Area: 20 Å2
Polarizability: 37.3±0.5 10-24cm3
Surface Tension: 47.0±3.0 dyne/cm
Molar Volume: 274.1±3.0 cm3

Click to predict properties on the Chemicalize site


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