Aceclofenac

Compound Structure

CAS Number: 89796-99-6

Molecular Mass: 354.2 g/mol

Formula: C16H13Cl2NO4

Smiles: O=C(O)COC(=O)Cc1ccccc1Nc1c(Cl)cccc1Cl

Synonymes:

Bioactivity: -

Solubility in Different Solvents

Solvent Temperature [K] Crystal form Solubility [mg/mL] Reference
1-Octanol 293.15 - 18.17 [409]
1-Octanol 298.15 - 24.4 [409]
1-Octanol 303.15 - 33.02 [409]
1-Octanol 308.15 - 45.41 [409]
1-Octanol 313.15 - 59.69 [409]
Acetone 293.35 - 271.0 [408]
Acetone 298.95 - 309.4 [408]
Acetone 303.15 - 345.4 [408]
Acetone 308.25 - 391.0 [408]
Acetone 314.15 - 451.9 [408]
Acetone 318.55 - 503.8 [408]
Acetone 323.25 - 564.2 [408]
Ethanol 293.85 - 52.18 [408]
Ethanol 301.95 - 78.19 [408]
Ethanol 302.85 - 82.49 [408]
Ethanol 308.15 - 105.8 [408]
Ethanol 313.95 - 145.6 [408]
Ethanol 318.75 - 186.4 [408]
Ethanol 323.35 - 240.1 [408]
Ethanol 328.45 - 312.9 [408]
Ethanol 333.25 - 426.1 [408]
Ethanol 337.95 - 572.7 [408]
Ethyl acetate 293.55 - 112.9 [408]
Ethyl acetate 298.25 - 126.6 [408]
Ethyl acetate 304.05 - 149.4 [408]
Ethyl acetate 307.95 - 167.2 [408]
Ethyl acetate 313.35 - 197.8 [408]
Ethyl acetate 318.45 - 226.3 [408]
Ethyl acetate 322.95 - 254.8 [408]
Ethyl acetate 328.55 - 301.4 [408]
Ethyl acetate 332.75 - 338.9 [408]
Ethyl acetate 338.25 - 397.2 [408]
Hexane 293.15 - 0.03388 [409]
Hexane 298.15 - 0.04683 [409]
Hexane 303.15 - 0.0641 [409]
Hexane 308.15 - 0.08837 [409]
Hexane 313.15 - 0.1201 [409]
Isopropanol 293.75 - 27.79 [408]
Isopropanol 298.65 - 32.21 [408]
Isopropanol 303.05 - 38.0 [408]
Isopropanol 307.95 - 44.65 [408]
Isopropanol 312.35 - 52.99 [408]
Isopropanol 317.65 - 64.97 [408]
Isopropanol 322.75 - 79.71 [408]
Isopropanol 328.55 - 101.5 [408]
Isopropanol 333.25 - 125.0 [408]
Isopropanol 338.05 - 160.4 [408]
Methanol 294.25 - 71.22 [408]
Methanol 299.05 - 89.92 [408]
Methanol 303.25 - 114.0 [408]
Methanol 308.75 - 148.0 [408]
Methanol 313.15 - 191.4 [408]
Methanol 317.95 - 246.1 [408]
Methanol 323.65 - 337.8 [408]
Methanol 328.65 - 459.0 [408]
Methanol 333.25 - 615.4 [408]
Toluene 298.15 - 1.43 [408]
Toluene 303.35 - 1.81 [408]
Toluene 308.15 - 2.13 [408]
Toluene 313.55 - 2.9 [408]
Toluene 317.85 - 3.604 [408]
Toluene 323.05 - 5.17 [408]
Toluene 327.55 - 7.203 [408]
Toluene 334.75 - 14.13 [408]

Molecule 3D descriptors

Descriptor Value
PMI1 2006.0165
PMI2 2486.3105
PMI3 3326.8064
NPR1 0.6030
NPR2 0.7474
RadiusOfGyration 3.3224
InertialShapeFactor 0.0004
Eccentricity 0.7978
Asphericity 0.0877
SpherocityIndex 0.3464
PBF 1.0063