ChemSpider 2D Image | (1aR,5aR,9aS)-1,1-Dibromo-7-(bromomethyl)-1a,5,5-trimethyl-1a,2,3,4,5,5a,8,9-octahydro-1H-benzo[a]cyclopropa[b][7]annulene | C16H23Br3

(1aR,5aR,9aS)-1,1-Dibromo-7-(bromomethyl)-1a,5,5-trimethyl-1a,2,3,4,5,5a,8,9-octahydro-1H-benzo[a]cyclopropa[b][7]annulene

  • Molecular FormulaC16H23Br3
  • Average mass455.066 Da
  • Monoisotopic mass451.934967 Da
  • ChemSpider ID30658228

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

(1aR,5aR,9aS)-1,1-Dibrom-7-(brommethyl)-1a,5,5-trimethyl-1a,2,3,4,5,5a,8,9-octahydro-1H-benzo[a]cyclopropa[b][7]annulen [German] [ACD/IUPAC Name]
(1aR,5aR,9aS)-1,1-Dibromo-7-(bromomethyl)-1a,5,5-trimethyl-1a,2,3,4,5,5a,8,9-octahydro-1H-benzo[a]cyclopropa[b][7]annulene [ACD/IUPAC Name]
(1aR,5aR,9aS)-1,1-Dibromo-7-(bromométhyl)-1a,5,5-triméthyl-1a,2,3,4,5,5a,8,9-octahydro-1H-benzo[a]cyclopropa[b][7]annulène [French] [ACD/IUPAC Name]
1H-Benzo[a]cyclopropa[b]cycloheptene, 1,1-dibromo-7-(bromomethyl)-1a,2,3,4,5,5a,8,9-octahydro-1a,5,5-trimethyl-, (1aR,5aR,9aS)- [ACD/Index Name]

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

Density: 1.7±0.1 g/cm3
Boiling Point: 394.7±42.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.9 mmHg at 25°C
Enthalpy of Vaporization: 62.0±3.0 kJ/mol
Flash Point: 186.6±22.6 °C
Index of Refraction: 1.600
Molar Refractivity: 92.9±0.4 cm3
#H bond acceptors: 0
#H bond donors: 0
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 1
ACD/LogP: 7.14
ACD/LogD (pH 5.5): 7.16
ACD/BCF (pH 5.5): 164121.73
ACD/KOC (pH 5.5): 188188.41
ACD/LogD (pH 7.4): 7.16
ACD/BCF (pH 7.4): 164121.73
ACD/KOC (pH 7.4): 188188.41
Polar Surface Area: 0 Å2
Polarizability: 36.8±0.5 10-24cm3
Surface Tension: 46.3±5.0 dyne/cm
Molar Volume: 271.5±5.0 cm3

Click to predict properties on the Chemicalize site


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