CHEMICAL AND PHYSICAL PROPERTIES
| Physical Description | Pentachloroanisole appears as needles or white crystals. (NTP, 1992) |
|---|---|
| Taste | Oily, muddy |
| Melting Point | 226 to 228 °F (NTP, 1992) |
| Solubility | less than 1 mg/mL at 77 °F (NTP, 1992) |
| Vapor Pressure | 0.000592 [mmHg] |
| LogP | 5.45 |
| Kovats Retention Index | 1690 1724 1741 1681 1699 1721 1719 1672 1699.7 |
| Chemical Classes | Other Classes -> Halogenated Anisoles |
COMPUTED DESCRIPTORS
| Molecular Weight | 280.4 g/mol |
|---|---|
| XLogP3 | 5.4 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 1 |
| Rotatable Bond Count | 1 |
| Exact Mass | 279.859703 g/mol |
| Monoisotopic Mass | 277.862653 g/mol |
| Topological Polar Surface Area | 9.2 Ų |
| Heavy Atom Count | 13 |
| Formal Charge | 0 |
| Complexity | 162 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 1 |
| Compound Is Canonicalized | Yes |
PRODUCT INTRODUCTION
description
Pentachloroanisole appears as needles or white crystals. (NTP, 1992)