Chlorzoxazone

Compound Structure

CAS Number: 95-25-0

Molecular Mass: 169.56 g/mol

Formula: C7H4ClNO2

Smiles: O=c1[nH]c2cc(Cl)ccc2o1

Synonymes:

Bioactivity: -

Solubility in Different Solvents

Solvent Temperature [K] Crystal form Solubility [mg/mL] Reference
Ethyl acetate 278.15 - 35.15 [445]
Ethyl acetate 283.15 - 41.01 [445]
Ethyl acetate 293.15 - 51.98 [445]
Ethyl acetate 303.15 - 63.66 [445]
Ethyl acetate 313.15 - 76.11 [445]
Ethyl acetate 323.15 - 89.55 [445]
Isopropanol 278.15 - 33.94 [445]
Isopropanol 283.15 - 40.85 [445]
Isopropanol 293.15 - 54.06 [445]
Isopropanol 303.15 - 69.01 [445]
Isopropanol 313.15 - 84.77 [445]
Isopropanol 323.15 - 103.1 [445]
Isopropanol 333.15 - 122.7 [445]
Toluene 283.15 - 1.679 [445]
Toluene 293.15 - 2.4 [445]
Toluene 303.15 - 3.258 [445]
Toluene 313.15 - 4.053 [445]
Toluene 323.15 - 4.831 [445]

Molecule 3D descriptors

Descriptor Value
PMI1 157.1927
PMI2 961.8604
PMI3 1119.0532
NPR1 0.1405
NPR2 0.8595
RadiusOfGyration 2.5689
InertialShapeFactor 0.0055
Eccentricity 0.9901
Asphericity 0.6378
SpherocityIndex 0.0000
PBF 0.0000