CHEMICAL AND PHYSICAL PROPERTIES
| Color/Form | White crystalline solid |
|---|---|
| Odor | Weak |
| Melting Point | 103-108 °C |
| Solubility | Solubilities (20 °C, g/L): dichloromethane >250; xylene 38.1; isopropanol 6.7; n-heptane 0.04 |
| Density | 1.422 at 20 °C |
| Vapor Pressure | 6X10-7 mPa at 20 °C (extrapolated) /4.5X10-12 mm Hg at 20 °C/ |
| LogP | log Kow = 2.86 at 20 °C |
COMPUTED DESCRIPTORS
| Molecular Weight | 458.8 g/mol |
|---|---|
| XLogP3 | 5.1 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 10 |
| Rotatable Bond Count | 7 |
| Exact Mass | 458.0793255 g/mol |
| Monoisotopic Mass | 458.0793255 g/mol |
| Topological Polar Surface Area | 96.6 Ų |
| Heavy Atom Count | 32 |
| Formal Charge | 0 |
| Complexity | 672 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 1 |
| Compound Is Canonicalized | Yes |