ChemSpider 2D Image | Rofecoxib-d5 | C17H9D5O4S

Rofecoxib-d5

  • Molecular FormulaC17H9D5O4S
  • Average mass319.387 Da
  • Monoisotopic mass319.092651 Da
  • ChemSpider ID9856005

  • Non-standard isotope - Non-standard isotope

More details:

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

2(5H)-Furanone, 4-[4-(methylsulfonyl)phenyl]-3-(phenyl-d5)- [ACD/Index Name]
4-[4-(Methylsulfonyl)phenyl]-3-(2H5)phenyl-2(5H)-furanon [German] [ACD/IUPAC Name]
4-[4-(Methylsulfonyl)phenyl]-3-(2H5)phenyl-2(5H)-furanone [ACD/IUPAC Name]
4-[4-(Méthylsulfonyl)phényl]-3-(2H5)phényl-2(5H)-furanone [French] [ACD/IUPAC Name]
544684-93-7 [RN]
Rofecoxib-d5
4-[4-(Methylsulfonyl)phenyl]-3-(phenyl-d5)-
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL4465601/

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

Density: 1.3±0.1 g/cm3
Boiling Point: 577.6±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 86.5±3.0 kJ/mol
Flash Point: 303.1±30.1 °C
Index of Refraction: 1.619
Molar Refractivity: 82.7±0.4 cm3
#H bond acceptors: 4
#H bond donors: 0
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 1.34
ACD/LogD (pH 5.5): 2.07
ACD/BCF (pH 5.5): 22.17
ACD/KOC (pH 5.5): 319.84
ACD/LogD (pH 7.4): 2.07
ACD/BCF (pH 7.4): 22.17
ACD/KOC (pH 7.4): 319.84
Polar Surface Area: 69 Å2
Polarizability: 32.8±0.5 10-24cm3
Surface Tension: 51.7±3.0 dyne/cm
Molar Volume: 235.7±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement