ChemSpider 2D Image | (1R)-6-Chloro-1-phenyl-2,3,4,5-tetrahydro-1H-3-benzazepine-7,8-diol | C16H16ClNO2

(1R)-6-Chloro-1-phenyl-2,3,4,5-tetrahydro-1H-3-benzazepine-7,8-diol

  • Molecular FormulaC16H16ClNO2
  • Average mass289.757 Da
  • Monoisotopic mass289.086945 Da
  • ChemSpider ID22906097

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(1R)-6-Chlor-1-phenyl-2,3,4,5-tetrahydro-1H-3-benzazepin-7,8-diol [German] [ACD/IUPAC Name]
(1R)-6-Chloro-1-phenyl-2,3,4,5-tetrahydro-1H-3-benzazepine-7,8-diol [ACD/IUPAC Name]
(1R)-6-Chloro-1-phényl-2,3,4,5-tétrahydro-1H-3-benzazépine-7,8-diol [French] [ACD/IUPAC Name]
(5R)-9-chloro-5-phenyl-2,3,4,5-tetrahydro-1H-3-benzazepine-7,8-diol
1H-3-Benzazepine-7,8-diol, 6-chloro-2,3,4,5-tetrahydro-1-phenyl-, (1R)- [ACD/Index Name]
(R)-(+)-6-Chloro-7,8-dihydroxy-1-phenyl-2,3,4,5-tetrahydro-1H-3-benzazepine
253446-15-0 [RN]
743408-71-1 [RN]
MFCD00671792 [MDL number]
R(+)-SKF-81297

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

Density: 1.3±0.1 g/cm3
Boiling Point: 467.3±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 75.7±3.0 kJ/mol
Flash Point: 236.4±28.7 °C
Index of Refraction: 1.631
Molar Refractivity: 79.5±0.3 cm3
#H bond acceptors: 3
#H bond donors: 3
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: 2.46
ACD/LogD (pH 5.5): 0.01
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.06
ACD/LogD (pH 7.4): 1.26
ACD/BCF (pH 7.4): 2.03
ACD/KOC (pH 7.4): 18.56
Polar Surface Area: 52 Å2
Polarizability: 31.5±0.5 10-24cm3
Surface Tension: 54.4±3.0 dyne/cm
Molar Volume: 223.0±3.0 cm3

Click to predict properties on the Chemicalize site


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