Found 51 results

Search term: MF = 'C_{21}H_{20}Cl_{2}O_{5}'
ChemSpider 2D Image | 2-Methyl-2-propanyl (6aS,11aR)-7,9-dichloro-8,11a-dihydroxy-5,11a-dihydrobenzo[b]naphtho[2,1-d]furan-6a(6H)-carboxylate | C21H20Cl2O5

2-Methyl-2-propanyl (6aS,11aR)-7,9-dichloro-8,11a-dihydroxy-5,11a-dihydrobenzo[b]naphtho[2,1-d]furan-6a(6H)-carboxylate

  • Molecular FormulaC21H20Cl2O5
  • Average mass423.286 Da
  • Monoisotopic mass422.068787 Da
  • ChemSpider ID74111875

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(6aS,11aR)-7,9-Dichloro-8,11a-dihydroxy-5,11a-dihydrobenzo[b]naphto[2,1-d]furane-6a(6H)-carboxylate de 2-méthyl-2-propanyle [French] [ACD/IUPAC Name]
2-Methyl-2-propanyl (6aS,11aR)-7,9-dichloro-8,11a-dihydroxy-5,11a-dihydrobenzo[b]naphtho[2,1-d]furan-6a(6H)-carboxylate [ACD/IUPAC Name]
2-Methyl-2-propanyl-(6aS,11aR)-7,9-dichlor-8,11a-dihydroxy-5,11a-dihydrobenzo[b]naphtho[2,1-d]furan-6a(6H)-carboxylat [German] [ACD/IUPAC Name]
Benzo[b]naphtho[2,1-d]furan-6a(6H)-carboxylic acid, 7,9-dichloro-5,11a-dihydro-8,11a-dihydroxy-, 1,1-dimethylethyl ester, (6aS,11aR)- [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: 529.0±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 84.6±3.0 kJ/mol
Flash Point: 273.7±30.1 °C
Index of Refraction: 1.653
Molar Refractivity: 105.2±0.3 cm3
#H bond acceptors: 5
#H bond donors: 2
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 1
ACD/LogP: 5.20
ACD/LogD (pH 5.5): 5.01
ACD/BCF (pH 5.5): 3778.26
ACD/KOC (pH 5.5): 12577.31
ACD/LogD (pH 7.4): 4.59
ACD/BCF (pH 7.4): 1423.08
ACD/KOC (pH 7.4): 4737.25
Polar Surface Area: 76 Å2
Polarizability: 41.7±0.5 10-24cm3
Surface Tension: 65.2±3.0 dyne/cm
Molar Volume: 287.4±3.0 cm3

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