ChemSpider 2D Image | 9-Chloro-3-oxabicyclo[3.3.1]nona-1(9),5,7-triene-2,4-dione | C8H3ClO3

9-Chloro-3-oxabicyclo[3.3.1]nona-1(9),5,7-triene-2,4-dione

  • Molecular FormulaC8H3ClO3
  • Average mass182.561 Da
  • Monoisotopic mass181.977066 Da
  • ChemSpider ID67031104

More details:






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

3-Oxabicyclo[3.3.1]nona-1(9),5,7-triene-2,4-dione, 9-chloro- [ACD/Index Name]
9-Chlor-3-oxabicyclo[3.3.1]nona-1(9),5,7-trien-2,4-dion [German] [ACD/IUPAC Name]
9-Chloro-3-oxabicyclo[3.3.1]nona-1(9),5,7-triene-2,4-dione [ACD/IUPAC Name]
9-Chloro-3-oxabicyclo[3.3.1]nona-1(9),5,7-triène-2,4-dione [French] [ACD/IUPAC Name]
chloroisophthalic anhydride

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.6±0.1 g/cm3
Boiling Point: 323.1±15.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.7 mmHg at 25°C
Enthalpy of Vaporization: 56.5±3.0 kJ/mol
Flash Point: 155.6±19.4 °C
Index of Refraction: 1.627
Molar Refractivity: 40.6±0.3 cm3
#H bond acceptors: 3
#H bond donors: 0
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 0
ACD/LogP: 1.12
ACD/LogD (pH 5.5): 1.54
ACD/BCF (pH 5.5): 8.79
ACD/KOC (pH 5.5): 164.99
ACD/LogD (pH 7.4): 1.54
ACD/BCF (pH 7.4): 8.79
ACD/KOC (pH 7.4): 164.99
Polar Surface Area: 43 Å2
Polarizability: 16.1±0.5 10-24cm3
Surface Tension: 61.2±3.0 dyne/cm
Molar Volume: 114.5±3.0 cm3

Click to predict properties on the Chemicalize site






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