ChemSpider 2D Image | (3s,5s,7s)-1-(5-Bromo-2-methoxyphenyl)adamantane | C17H21BrO

(3s,5s,7s)-1-(5-Bromo-2-methoxyphenyl)adamantane

  • Molecular FormulaC17H21BrO
  • Average mass321.252 Da
  • Monoisotopic mass320.077576 Da
  • ChemSpider ID28428670

  • defined stereocentres - 3 of 4 defined stereocentres

More details:

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

(3s,5s,7s)-1-(5-Brom-2-methoxyphenyl)adamantan [German] [ACD/IUPAC Name]
(3s,5s,7s)-1-(5-Bromo-2-methoxyphenyl)adamantane [ACD/IUPAC Name]
(3s,5s,7s)-1-(5-Bromo-2-méthoxyphényl)adamantane [French] [ACD/IUPAC Name]
Tricyclo[3.3.1.13,7]decane, 1-(5-bromo-2-methoxyphenyl)- [ACD/Index Name]
104224-63-7 [RN]
2-(1-Adamantyl)-4-bromoanisole

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

Density: 1.3±0.1 g/cm3
Boiling Point: 402.5±38.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.9 mmHg at 25°C
Enthalpy of Vaporization: 62.8±3.0 kJ/mol
Flash Point: 160.3±12.8 °C
Index of Refraction: 1.594
Molar Refractivity: 80.9±0.3 cm3
#H bond acceptors: 1
#H bond donors: 0
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 1
ACD/LogP: 6.51
ACD/LogD (pH 5.5): 5.72
ACD/BCF (pH 5.5): 13153.45
ACD/KOC (pH 5.5): 30902.70
ACD/LogD (pH 7.4): 5.72
ACD/BCF (pH 7.4): 13153.45
ACD/KOC (pH 7.4): 30902.70
Polar Surface Area: 9 Å2
Polarizability: 32.1±0.5 10-24cm3
Surface Tension: 46.1±3.0 dyne/cm
Molar Volume: 238.6±3.0 cm3

Click to predict properties on the Chemicalize site


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