ChemSpider 2D Image | 2-[(1R,2S,3R,6R,7S)-4-Methyltricyclo[5.2.1.0~2,6~]dec-4-en-3-yl]ethyl 4-bromobenzoate | C20H23BrO2

2-[(1R,2S,3R,6R,7S)-4-Methyltricyclo[5.2.1.02,6]dec-4-en-3-yl]ethyl 4-bromobenzoate

  • Molecular FormulaC20H23BrO2
  • Average mass375.299 Da
  • Monoisotopic mass374.088135 Da
  • ChemSpider ID30658921

  • defined stereocentres - 5 of 5 defined stereocentres

More details:

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

2-[(1R,2S,3R,6R,7S)-4-Methyltricyclo[5.2.1.02,6]dec-4-en-3-yl]ethyl 4-bromobenzoate [ACD/IUPAC Name]
2-[(1R,2S,3R,6R,7S)-4-Methyltricyclo[5.2.1.02,6]dec-4-en-3-yl]ethyl-4-brombenzoat [German] [ACD/IUPAC Name]
4-Bromobenzoate de 2-[(1R,2S,3R,6R,7S)-4-méthyltricyclo[5.2.1.02,6]déc-4-én-3-yl]éthyle [French] [ACD/IUPAC Name]
Benzoic acid, 4-bromo-, 2-[(1R,3aR,4S,7R,7aS)-3a,4,5,6,7,7a-hexahydro-2-methyl-4,7-methano-1H-inden-1-yl]ethyl ester [ACD/Index 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: 455.6±18.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.1 mmHg at 25°C
Enthalpy of Vaporization: 71.5±3.0 kJ/mol
Flash Point: 229.3±21.2 °C
Index of Refraction: 1.576
Molar Refractivity: 94.9±0.3 cm3
#H bond acceptors: 2
#H bond donors: 0
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 1
ACD/LogP: 7.07
ACD/LogD (pH 5.5): 6.62
ACD/BCF (pH 5.5): 62994.91
ACD/KOC (pH 5.5): 94825.23
ACD/LogD (pH 7.4): 6.62
ACD/BCF (pH 7.4): 62994.91
ACD/KOC (pH 7.4): 94825.23
Polar Surface Area: 26 Å2
Polarizability: 37.6±0.5 10-24cm3
Surface Tension: 41.2±3.0 dyne/cm
Molar Volume: 286.8±3.0 cm3

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