CHEMICAL AND PHYSICAL PROPERTIES
| Physical Description | White solid; [Cerilliant MSDS] |
|---|---|
| Collision Cross Section | 163.9 Ų [M-Cl+O]- |
| Kovats Retention Index | 2365.6 2374.4 2332.2 2370.9 2373.5 |
| Chemical Classes | Other Classes -> Halogenated Polyaromatics |
COMPUTED DESCRIPTORS
| Molecular Weight | 326.4 g/mol |
|---|---|
| XLogP3 | 7.3 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 0 |
| Rotatable Bond Count | 1 |
| Exact Mass | 325.880439 g/mol |
| Monoisotopic Mass | 323.883389 g/mol |
| Topological Polar Surface Area | 0 Ų |
| Heavy Atom Count | 17 |
| Formal Charge | 0 |
| Complexity | 247 |
| 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
3,3',4,4',5-pentachlorobiphenyl is a pentachlorobiphenyl in which the chlorines are located at the 3, 4, 5, 3', and 4' positions. It is a pentachlorobiphenyl and a trichlorobenzene.