Found 51 results

Search term: MF = 'C_{21}H_{20}Cl_{2}O_{5}'
ChemSpider 2D Image | 2,4-Dichloro-1,7-dihydroxy-9-methoxy-3-methyl-10-(3-methyl-2-buten-1-yl)dibenzo[b,e]oxepin-11(6H)-one | C21H20Cl2O5

2,4-Dichloro-1,7-dihydroxy-9-methoxy-3-methyl-10-(3-methyl-2-buten-1-yl)dibenzo[b,e]oxepin-11(6H)-one

  • Molecular FormulaC21H20Cl2O5
  • Average mass423.286 Da
  • Monoisotopic mass422.068787 Da
  • ChemSpider ID110416489

More details:

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

2,4-Dichlor-1,7-dihydroxy-9-methoxy-3-methyl-10-(3-methyl-2-buten-1-yl)dibenzo[b,e]oxepin-11(6H)-on [German] [ACD/IUPAC Name]
2,4-Dichloro-1,7-dihydroxy-9-methoxy-3-methyl-10-(3-methyl-2-buten-1-yl)dibenzo[b,e]oxepin-11(6H)-one [ACD/IUPAC Name]
2,4-Dichloro-1,7-dihydroxy-9-méthoxy-3-méthyl-10-(3-méthyl-2-butén-1-yl)dibenzo[b,e]oxépin-11(6H)-one [French] [ACD/IUPAC Name]
Dibenz[b,e]oxepin-11(6H)-one, 2,4-dichloro-1,7-dihydroxy-9-methoxy-3-methyl-10-(3-methyl-2-buten-1-yl)- [ACD/Index Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 635.7±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 97.4±3.0 kJ/mol
Flash Point: 338.2±31.5 °C
Index of Refraction: 1.622
Molar Refractivity: 108.5±0.3 cm3
#H bond acceptors: 5
#H bond donors: 2
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 1
ACD/LogP: 7.47
ACD/LogD (pH 5.5): 6.15
ACD/BCF (pH 5.5): 21066.10
ACD/KOC (pH 5.5): 31256.63
ACD/LogD (pH 7.4): 4.38
ACD/BCF (pH 7.4): 359.51
ACD/KOC (pH 7.4): 533.41
Polar Surface Area: 76 Å2
Polarizability: 43.0±0.5 10-24cm3
Surface Tension: 53.7±3.0 dyne/cm
Molar Volume: 308.1±3.0 cm3

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