ChemSpider 2D Image | (1aR,11cS,12aR)-11c-(2-Chloroethoxy)-1a,12a-dihydrobenzo[a][1]benzoxireno[2,3,4-kl]xanthen-12(11cH)-one | C22H15ClO4

(1aR,11cS,12aR)-11c-(2-Chloroethoxy)-1a,12a-dihydrobenzo[a][1]benzoxireno[2,3,4-kl]xanthen-12(11cH)-one

  • Molecular FormulaC22H15ClO4
  • Average mass378.805 Da
  • Monoisotopic mass378.065887 Da
  • ChemSpider ID24740856

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

(1aR,11cS,12aR)-11c-(2-Chlorethoxy)-1a,12a-dihydrobenzo[a][1]benzoxireno[2,3,4-kl]xanthen-12(11cH)-on [German] [ACD/IUPAC Name]
(1aR,11cS,12aR)-11c-(2-Chloroethoxy)-1a,12a-dihydrobenzo[a][1]benzoxireno[2,3,4-kl]xanthen-12(11cH)-one [ACD/IUPAC Name]
(1aR,11cS,12aR)-11c-(2-Chloroéthoxy)-1a,12a-dihydrobenzo[a][1]benzoxiréno[2,3,4-kl]xanthén-12(11cH)-one [French] [ACD/IUPAC Name]
Benzo[a]-1-benzoxireno[2,3,4-kl]xanthen-12(11cH)-one, 11c-(2-chloroethoxy)-1a,12a-dihydro-, (1aR,11cS,12aR)- [ACD/Index Name]

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

Density: 1.5±0.1 g/cm3
Boiling Point: 588.6±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 87.9±3.0 kJ/mol
Flash Point: 231.0±29.1 °C
Index of Refraction: 1.731
Molar Refractivity: 100.8±0.4 cm3
#H bond acceptors: 4
#H bond donors: 0
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 4.51
ACD/LogD (pH 5.5): 4.47
ACD/BCF (pH 5.5): 1473.13
ACD/KOC (pH 5.5): 6448.00
ACD/LogD (pH 7.4): 4.47
ACD/BCF (pH 7.4): 1473.13
ACD/KOC (pH 7.4): 6448.00
Polar Surface Area: 48 Å2
Polarizability: 40.0±0.5 10-24cm3
Surface Tension: 68.7±5.0 dyne/cm
Molar Volume: 252.3±5.0 cm3

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