ChemSpider 2D Image | (1'S,7'S)-4',7'-Dibromodispiro[1,3-dioxolane-2,10'-tricyclo[5.2.1.0~2,6~]deca[4,8]diene-3',2''-[1,3]dioxolane] | C14H14Br2O4

(1'S,7'S)-4',7'-Dibromodispiro[1,3-dioxolane-2,10'-tricyclo[5.2.1.02,6]deca[4,8]diene-3',2''-[1,3]dioxolane]

  • Molecular FormulaC14H14Br2O4
  • Average mass406.067 Da
  • Monoisotopic mass403.925873 Da
  • ChemSpider ID57276590

  • defined stereocentres - 2 of 4 defined stereocentres

More details:

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

(1'S,7'S)-4',7'-Dibromodispiro[1,3-dioxolane-2,10'-tricyclo[5.2.1.02,6]deca[4,8]diene-3',2''-[1,3]dioxolane] [ACD/IUPAC Name]
4',7'-DIBROMODISPIRO[1,3-DIOXOLANE-2,3'-TRICYCLO[5.2.1.0(2,6)]DECANE-10',2''-[1,3]DIOXOLANE]-4',8'-DIENE
485318-53-4 [RN]

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

Density: 2.0±0.1 g/cm3
Boiling Point: 475.5±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.1 mmHg at 25°C
Enthalpy of Vaporization: 71.1±3.0 kJ/mol
Flash Point: 198.4±27.2 °C
Index of Refraction: 1.686
Molar Refractivity: 78.6±0.4 cm3
#H bond acceptors: 4
#H bond donors: 0
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 0
ACD/LogP: 3.35
ACD/LogD (pH 5.5): 2.64
ACD/BCF (pH 5.5): 59.90
ACD/KOC (pH 5.5): 651.47
ACD/LogD (pH 7.4): 2.64
ACD/BCF (pH 7.4): 59.90
ACD/KOC (pH 7.4): 651.47
Polar Surface Area: 37 Å2
Polarizability: 31.2±0.5 10-24cm3
Surface Tension: 63.9±5.0 dyne/cm
Molar Volume: 206.8±5.0 cm3

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