ChemSpider 2D Image | 6-Chloro-1-(4-hydroxyphenyl)-8-methoxy(2,2,4,4-~2~H_4_)-2,3,4,5-tetrahydro-1H-3-benzazepin-7-ol | C17H14D4ClNO3

6-Chloro-1-(4-hydroxyphenyl)-8-methoxy(2,2,4,4-2H4)-2,3,4,5-tetrahydro-1H-3-benzazepin-7-ol

  • Molecular FormulaC17H14D4ClNO3
  • Average mass323.807 Da
  • Monoisotopic mass323.122620 Da
  • ChemSpider ID107438841

  • Non-standard isotope - Non-standard isotope

More details:

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

1H-3-Benzazepin-2,4-d2-7-ol, 6-chloro-2,3,4,5-tetrahydro-2,4-d2-1-(4-hydroxyphenyl)-8-methoxy- [ACD/Index Name]
6-Chlor-1-(4-hydroxyphenyl)-8-methoxy(2,2,4,4-2H4)-2,3,4,5-tetrahydro-1H-3-benzazepin-7-ol [German] [ACD/IUPAC Name]
6-Chloro-1-(4-hydroxyphenyl)-8-methoxy(2,2,4,4-2H4)-2,3,4,5-tetrahydro-1H-3-benzazepin-7-ol [ACD/IUPAC Name]
6-Chloro-1-(4-hydroxyphényl)-8-méthoxy(2,2,4,4-2H4)-2,3,4,5-tétrahydro-1H-3-benzazépin-7-ol [French] [ACD/IUPAC Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 503.4±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 80.2±3.0 kJ/mol
Flash Point: 258.2±30.1 °C
Index of Refraction: 1.615
Molar Refractivity: 86.2±0.3 cm3
#H bond acceptors: 4
#H bond donors: 3
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 1.94
ACD/LogD (pH 5.5): -0.40
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): 0.67
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 7.01
Polar Surface Area: 62 Å2
Polarizability: 34.2±0.5 10-24cm3
Surface Tension: 51.7±3.0 dyne/cm
Molar Volume: 247.0±3.0 cm3

Click to predict properties on the Chemicalize site


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