CHEMICAL AND PHYSICAL PROPERTIES
| Physical Description | Crystals (from dilute methanol). (NTP, 1992) |
|---|---|
| Melting Point | 180 to 185 °F (NTP, 1992) |
| Kovats Retention Index | 1932 1957 2006 |
COMPUTED DESCRIPTORS
| Molecular Weight | 214.26 g/mol |
|---|---|
| XLogP3 | 2 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 4 |
| Exact Mass | 214.110613074 g/mol |
| Monoisotopic Mass | 214.110613074 g/mol |
| Topological Polar Surface Area | 45.2 Ų |
| Heavy Atom Count | 16 |
| Formal Charge | 0 |
| Complexity | 192 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 1 |
| Compound Is Canonicalized | Yes |
PRODUCT INTRODUCTION
description
Crystals (from dilute methanol). (NTP, 1992)