ChemSpider 2D Image | (2R,2'R)-2,2'-{2,2-Propanediylbis[(2,6-dibromo-4,1-phenylene)oxymethylene]}dioxirane | C21H20Br4O4

(2R,2'R)-2,2'-{2,2-Propanediylbis[(2,6-dibromo-4,1-phenylene)oxymethylene]}dioxirane

  • Molecular FormulaC21H20Br4O4
  • Average mass655.997 Da
  • Monoisotopic mass651.809509 Da
  • ChemSpider ID5612028

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(2R,2'R)-2,2'-{2,2-Propandiylbis[(2,6-dibrom-4,1-phenylen)oxymethylen]}dioxiran [German] [ACD/IUPAC Name]
(2R,2'R)-2,2'-{2,2-Propanediylbis[(2,6-dibromo-4,1-phenylene)oxymethylene]}dioxirane [ACD/IUPAC Name]
(2R,2'R)-2,2'-{2,2-Propanediylbis[(2,6-dibromo-4,1-phénylène)oxyméthylène]}dioxirane [French] [ACD/IUPAC Name]
Oxirane, 2,2'-[(1-methylethylidene)bis[(2,6-dibromo-4,1-phenylene)oxymethylene]]bis-, (2R,2'R)- [ACD/Index Name]

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

ZINC04552004 [DBID]

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

Density: 1.8±0.1 g/cm3
Boiling Point: 575.2±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 83.0±3.0 kJ/mol
Flash Point: 242.7±28.6 °C
Index of Refraction: 1.627
Molar Refractivity: 126.2±0.3 cm3
#H bond acceptors: 4
#H bond donors: 0
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 2
ACD/LogP: 6.14
ACD/LogD (pH 5.5): 5.98
ACD/BCF (pH 5.5): 20643.38
ACD/KOC (pH 5.5): 42668.41
ACD/LogD (pH 7.4): 5.98
ACD/BCF (pH 7.4): 20643.38
ACD/KOC (pH 7.4): 42668.41
Polar Surface Area: 44 Å2
Polarizability: 50.0±0.5 10-24cm3
Surface Tension: 52.7±3.0 dyne/cm
Molar Volume: 356.1±3.0 cm3

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