ChemSpider 2D Image | 7-Chloro-6-[(3R)-3-pyrrolidinylmethoxy]-1(2H)-isoquinolinone | C14H15ClN2O2

7-Chloro-6-[(3R)-3-pyrrolidinylmethoxy]-1(2H)-isoquinolinone

  • Molecular FormulaC14H15ClN2O2
  • Average mass278.734 Da
  • Monoisotopic mass278.082214 Da
  • ChemSpider ID30827242

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

1(2H)-Isoquinolinone, 7-chloro-6-[(3R)-3-pyrrolidinylmethoxy]- [ACD/Index Name]
7-Chlor-6-[(3R)-3-pyrrolidinylmethoxy]-1(2H)-isochinolinon [German] [ACD/IUPAC Name]
7-Chloro-6-[(3R)-3-pyrrolidinylméthoxy]-1(2H)-isoquinoléinone [French] [ACD/IUPAC Name]
7-Chloro-6-[(3R)-3-pyrrolidinylmethoxy]-1(2H)-isoquinolinone [ACD/IUPAC Name]
7-choro-6-[(3R)-pyrrolidin-3-ylmethoxy]isoquinolin-1(2H)-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: 543.0±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 82.1±3.0 kJ/mol
Flash Point: 282.2±30.1 °C
Index of Refraction: 1.581
Molar Refractivity: 72.9±0.3 cm3
#H bond acceptors: 4
#H bond donors: 2
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 1.54
ACD/LogD (pH 5.5): -1.21
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -0.57
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 50 Å2
Polarizability: 28.9±0.5 10-24cm3
Surface Tension: 44.9±3.0 dyne/cm
Molar Volume: 218.8±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement