ChemSpider 2D Image | (5R)-8-Chloro-5-(3-iodophenyl)-3-methyl-2,3,4,5-tetrahydro-1H-3-benzazepin-7-ol | C17H17ClINO

(5R)-8-Chloro-5-(3-iodophenyl)-3-methyl-2,3,4,5-tetrahydro-1H-3-benzazepin-7-ol

  • Molecular FormulaC17H17ClINO
  • Average mass413.680 Da
  • Monoisotopic mass413.004333 Da
  • ChemSpider ID24683695

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(5R)-8-Chlor-5-(3-iodphenyl)-3-methyl-2,3,4,5-tetrahydro-1H-3-benzazepin-7-ol [German] [ACD/IUPAC Name]
(5R)-8-Chloro-5-(3-iodophenyl)-3-methyl-2,3,4,5-tetrahydro-1H-3-benzazepin-7-ol [ACD/IUPAC Name]
(5R)-8-Chloro-5-(3-iodophényl)-3-méthyl-2,3,4,5-tétrahydro-1H-3-benzazépin-7-ol [French] [ACD/IUPAC Name]
1H-3-Benzazepin-7-ol, 8-chloro-2,3,4,5-tetrahydro-5-(3-iodophenyl)-3-methyl-, (5R)- [ACD/Index Name]
(5R)-8-chloro-5-(3-iodophenyl)-3-methyl-1,2,4,5-tetrahydro-3-benzazepin-7-ol
131615-52-6 [RN]
172848-60-1 [RN]
1H-3-Benzazepin-7-ol, 8-chloro-2,3,4,5-tetrahydro-5-(3-iodophenyl)-3-methyl-, (R)-
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL353449/
MFCD06797364 [MDL number]

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

Density: 1.6±0.1 g/cm3
Boiling Point: 471.8±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 76.3±3.0 kJ/mol
Flash Point: 239.2±28.7 °C
Index of Refraction: 1.650
Molar Refractivity: 95.4±0.3 cm3
#H bond acceptors: 2
#H bond donors: 1
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: 4.86
ACD/LogD (pH 5.5): 2.58
ACD/BCF (pH 5.5): 15.06
ACD/KOC (pH 5.5): 54.02
ACD/LogD (pH 7.4): 4.23
ACD/BCF (pH 7.4): 674.75
ACD/KOC (pH 7.4): 2420.71
Polar Surface Area: 23 Å2
Polarizability: 37.8±0.5 10-24cm3
Surface Tension: 50.4±3.0 dyne/cm
Molar Volume: 261.7±3.0 cm3

Click to predict properties on the Chemicalize site


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