ChemSpider 2D Image | [3-(4-Chlorophenyl)-1-azepanyl](3-fluoro-4-methoxyphenyl)methanone | C20H21ClFNO2

[3-(4-Chlorophenyl)-1-azepanyl](3-fluoro-4-methoxyphenyl)methanone

  • Molecular FormulaC20H21ClFNO2
  • Average mass361.838 Da
  • Monoisotopic mass361.124481 Da
  • ChemSpider ID31081560

More details:

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

[3-(4-Chlorophenyl)-1-azepanyl](3-fluoro-4-methoxyphenyl)methanone [ACD/IUPAC Name]
[3-(4-Chlorophényl)-1-azépanyl](3-fluoro-4-méthoxyphényl)méthanone [French] [ACD/IUPAC Name]
[3-(4-Chlorphenyl)-1-azepanyl](3-fluor-4-methoxyphenyl)methanon [German] [ACD/IUPAC Name]
Methanone, [3-(4-chlorophenyl)hexahydro-1H-azepin-1-yl](3-fluoro-4-methoxyphenyl)- [ACD/Index Name]
(3-(4-chlorophenyl)azepan-1-yl)(3-fluoro-4-methoxyphenyl)methanone
1797726-73-8 [RN]
3-(4-chlorophenyl)-1-(3-fluoro-4-methoxybenzoyl)azepane

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

Density: 1.2±0.1 g/cm3
Boiling Point: 519.3±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 79.2±3.0 kJ/mol
Flash Point: 267.8±30.1 °C
Index of Refraction: 1.567
Molar Refractivity: 96.9±0.3 cm3
#H bond acceptors: 3
#H bond donors: 0
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 4.83
ACD/LogD (pH 5.5): 4.66
ACD/BCF (pH 5.5): 2062.38
ACD/KOC (pH 5.5): 8203.93
ACD/LogD (pH 7.4): 4.66
ACD/BCF (pH 7.4): 2062.38
ACD/KOC (pH 7.4): 8203.93
Polar Surface Area: 30 Å2
Polarizability: 38.4±0.5 10-24cm3
Surface Tension: 43.3±3.0 dyne/cm
Molar Volume: 296.6±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement