Found 1 result

Search term: UIRFWXCFBPYLDL-UHFFFAOYSA-N (Found by InChIKey (full match))
ChemSpider 2D Image | 3,5-Dibromo-7,11-diazatricyclo[7.3.1.0~2,7~]trideca-2,4-dien-6-one | C11H12Br2N2O

3,5-Dibromo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-6-one

  • Molecular FormulaC11H12Br2N2O
  • Average mass348.034 Da
  • Monoisotopic mass345.931610 Da
  • ChemSpider ID23155261

More details:

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

1,5-Methano-8H-pyrido[1,2-a][1,5]diazocin-8-one, 9,11-dibromo-1,2,3,4,5,6-hexahydro- [ACD/Index Name]
3,5-Dibrom-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-6-on [German] [ACD/IUPAC Name]
3,5-Dibromo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-6-one [ACD/IUPAC Name]
3,5-Dibromo-7,11-diazatricyclo[7.3.1.02,7]tridéca-2,4-dién-6-one [French] [ACD/IUPAC Name]
9,11-dibromo-1,2,3,4,5,6-hexahydro-8H-1,5-methanopyrido[1,2-a][1,5]diazocin-8-one
9,11-Dibromo-1,2,3,4,5,6-hexahydro-1,5-methano-pyrido[1,2-a][1,5]diazocin-8-one
CHEMBL292054
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL292054/

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

Density: 1.9±0.1 g/cm3
Boiling Point: 424.5±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.0 mmHg at 25°C
Enthalpy of Vaporization: 67.9±3.0 kJ/mol
Flash Point: 210.5±28.7 °C
Index of Refraction: 1.694
Molar Refractivity: 69.0±0.4 cm3
#H bond acceptors: 3
#H bond donors: 1
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 0
ACD/LogP: 0.95
ACD/LogD (pH 5.5): -1.63
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -0.74
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 32 Å2
Polarizability: 27.4±0.5 10-24cm3
Surface Tension: 63.5±5.0 dyne/cm
Molar Volume: 179.7±5.0 cm3

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