Found 9 results

Search term: MF = 'C_{14}H_{16}Br_{2}N_{2}O_{6}'
ChemSpider 2D Image | Dimethyl (2S,2'S)-2,2'-[(2,5-dibromo-3,6-dioxo-1,4-cyclohexadiene-1,4-diyl)diimino]dipropanoate | C14H16Br2N2O6

Dimethyl (2S,2'S)-2,2'-[(2,5-dibromo-3,6-dioxo-1,4-cyclohexadiene-1,4-diyl)diimino]dipropanoate

  • Molecular FormulaC14H16Br2N2O6
  • Average mass468.095 Da
  • Monoisotopic mass465.937500 Da
  • ChemSpider ID24676894

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(2S,2'S)-2,2'-[(2,5-Dibromo-3,6-dioxo-1,4-cyclohexadiène-1,4-diyl)diimino]dipropanoate de diméthyle [French] [ACD/IUPAC Name]
Dimethyl (2S,2'S)-2,2'-[(2,5-dibromo-3,6-dioxo-1,4-cyclohexadiene-1,4-diyl)diimino]dipropanoate [ACD/IUPAC Name]
Dimethyl-(2S,2'S)-2,2'-[(2,5-dibrom-3,6-dioxo-1,4-cyclohexadien-1,4-diyl)diimino]dipropanoat [German] [ACD/IUPAC Name]

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

Density: 1.7±0.1 g/cm3
Boiling Point: 482.5±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 74.7±3.0 kJ/mol
Flash Point: 245.6±28.7 °C
Index of Refraction: 1.584
Molar Refractivity: 90.4±0.4 cm3
#H bond acceptors: 8
#H bond donors: 2
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 0
ACD/LogP: 2.66
ACD/LogD (pH 5.5): 2.20
ACD/BCF (pH 5.5): 27.57
ACD/KOC (pH 5.5): 373.86
ACD/LogD (pH 7.4): 2.20
ACD/BCF (pH 7.4): 27.57
ACD/KOC (pH 7.4): 373.86
Polar Surface Area: 111 Å2
Polarizability: 35.8±0.5 10-24cm3
Surface Tension: 56.5±5.0 dyne/cm
Molar Volume: 270.3±5.0 cm3

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