ChemSpider 2D Image | (1S,2R,4R)-1,7,7-Trimethylbicyclo[2.2.1]hept-2-yl bromoacetate | C12H19BrO2

(1S,2R,4R)-1,7,7-Trimethylbicyclo[2.2.1]hept-2-yl bromoacetate

  • Molecular FormulaC12H19BrO2
  • Average mass275.182 Da
  • Monoisotopic mass274.056824 Da
  • ChemSpider ID32754845

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

(1S,2R,4R)-1,7,7-Trimethylbicyclo[2.2.1]hept-2-yl bromoacetate [ACD/IUPAC Name]
(1S,2R,4R)-1,7,7-Trimethylbicyclo[2.2.1]hept-2-yl-bromacetat [German] [ACD/IUPAC Name]
Acetic acid, 2-bromo-, (1S,2R,4R)-1,7,7-trimethylbicyclo[2.2.1]hept-2-yl ester [ACD/Index Name]
Bromoacétate de (1S,2R,4R)-1,7,7-triméthylbicyclo[2.2.1]hept-2-yle [French] [ACD/IUPAC Name]
77026-89-2 [RN]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 281.3±13.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 52.0±3.0 kJ/mol
Flash Point: 123.9±19.8 °C
Index of Refraction: 1.518
Molar Refractivity: 63.1±0.4 cm3
#H bond acceptors: 2
#H bond donors: 0
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 4.26
ACD/LogD (pH 5.5): 4.00
ACD/BCF (pH 5.5): 649.17
ACD/KOC (pH 5.5): 3586.64
ACD/LogD (pH 7.4): 4.00
ACD/BCF (pH 7.4): 649.17
ACD/KOC (pH 7.4): 3586.64
Polar Surface Area: 26 Å2
Polarizability: 25.0±0.5 10-24cm3
Surface Tension: 38.5±5.0 dyne/cm
Molar Volume: 208.1±5.0 cm3

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