Found 38 results

Search term: MF = 'C_{20}H_{23}BrO_{2}'
ChemSpider 2D Image | (3S,3aR,3bR,8aR)-3-(2-Bromophenyl)-3b,7,7-trimethyl-3,3a,3b,4,5,6,7,8a-octahydro-1H-indeno[1,2-c]furan-1-one | C20H23BrO2

(3S,3aR,3bR,8aR)-3-(2-Bromophenyl)-3b,7,7-trimethyl-3,3a,3b,4,5,6,7,8a-octahydro-1H-indeno[1,2-c]furan-1-one

  • Molecular FormulaC20H23BrO2
  • Average mass375.299 Da
  • Monoisotopic mass374.088135 Da
  • ChemSpider ID35033117

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

(3S,3aR,3bR,8aR)-3-(2-Bromophenyl)-3b,7,7-trimethyl-3,3a,3b,4,5,6,7,8a-octahydro-1H-indeno[1,2-c]furan-1-one [ACD/IUPAC Name]
(3S,3aR,3bR,8aR)-3-(2-Bromophényl)-3b,7,7-triméthyl-3,3a,3b,4,5,6,7,8a-octahydro-1H-indéno[1,2-c]furan-1-one [French] [ACD/IUPAC Name]
(3S,3aR,3bR,8aR)-3-(2-Bromphenyl)-3b,7,7-trimethyl-3,3a,3b,4,5,6,7,8a-octahydro-1H-indeno[1,2-c]furan-1-on [German] [ACD/IUPAC Name]
1H-Indeno[1,2-c]furan-1-one, 3-(2-bromophenyl)-3,3a,3b,4,5,6,7,8a-octahydro-3b,7,7-trimethyl-, (3S,3aR,3bR,8aR)- [ACD/Index Name]
3-(o-Bromophenyl)-3b,7,7-trimethyl-3,3a,3b,4,5,6,7,8a-octahydro-1H-indeno[1,2-c]furan-2-one

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

Density: 1.4±0.1 g/cm3
Boiling Point: 472.0±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 73.5±3.0 kJ/mol
Flash Point: 239.3±28.7 °C
Index of Refraction: 1.605
Molar Refractivity: 94.7±0.4 cm3
#H bond acceptors: 2
#H bond donors: 0
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 1
ACD/LogP: 5.36
ACD/LogD (pH 5.5): 5.49
ACD/BCF (pH 5.5): 8700.56
ACD/KOC (pH 5.5): 22988.88
ACD/LogD (pH 7.4): 5.49
ACD/BCF (pH 7.4): 8700.56
ACD/KOC (pH 7.4): 22988.88
Polar Surface Area: 26 Å2
Polarizability: 37.5±0.5 10-24cm3
Surface Tension: 48.0±5.0 dyne/cm
Molar Volume: 274.7±5.0 cm3

Click to predict properties on the Chemicalize site


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