ChemSpider 2D Image | 5'-Bromo-3'H-spiro[azepane-4,1'-[2]benzofuran] | C13H16BrNO

5'-Bromo-3'H-spiro[azepane-4,1'-[2]benzofuran]

  • Molecular FormulaC13H16BrNO
  • Average mass282.176 Da
  • Monoisotopic mass281.041504 Da
  • ChemSpider ID28600245

More details:

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

1258430-92-0 [RN]
5'-Bromo-3'H-spiro[azepane-4,1'-[2]benzofuran] [ACD/IUPAC Name]
5'-Bromo-3'H-spiro[azepane-4,1'-isobenzofuran]
Spiro[4H-azepine-4,1'(3'H)-isobenzofuran], 5'-bromo-1,2,3,5,6,7-hexahydro- [ACD/Index Name]
5'-Bromo-3'H-spiro[azepane-4,1'-isobenzo[b]furan]
Spiro[4H-azepine-4,2'(3'H)-benzofuran], 5'-bromo-1,2,3,5,6,7-hexahydro- [ACD/Index Name]

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

Density: 1.5±0.1 g/cm3
Boiling Point: 379.2±42.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.9 mmHg at 25°C
Enthalpy of Vaporization: 62.7±3.0 kJ/mol
Flash Point: 183.2±27.9 °C
Index of Refraction: 1.619
Molar Refractivity: 68.2±0.4 cm3
#H bond acceptors: 2
#H bond donors: 1
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 0
ACD/LogP: 3.53
ACD/LogD (pH 5.5): 0.20
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.19
ACD/LogD (pH 7.4): 0.37
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.74
Polar Surface Area: 21 Å2
Polarizability: 27.0±0.5 10-24cm3
Surface Tension: 50.9±5.0 dyne/cm
Molar Volume: 194.4±5.0 cm3

Click to predict properties on the Chemicalize site


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