CHEMICAL AND PHYSICAL PROPERTIES
| Physical Description | Solid; [Merck Index] |
|---|---|
| Vapor Pressure | 0.00000045 [mmHg] |
| Ionization Efficiency | Positive |
| Collision Cross Section | 174.17 Ų [M+H]+ |
| Chemical Classes | Pesticides -> Fungicides |
COMPUTED DESCRIPTORS
| Molecular Weight | 329.8 g/mol |
|---|---|
| XLogP3 | 3.2 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 4 |
| Exact Mass | 329.0731179 g/mol |
| Monoisotopic Mass | 329.0731179 g/mol |
| Topological Polar Surface Area | 43.2 Ų |
| Heavy Atom Count | 23 |
| Formal Charge | 0 |
| Complexity | 421 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 2 |
| 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
(2S,3R)-epoxiconazole is the (2S,3R)-stereoisomer of 1-{[3-(2-chlorophenyl)-2-(4-fluorophenyl)oxiran-2-yl]methyl}-1H-1,2,4-triazole. It is an enantiomer of a (2R,3S)-epoxiconazole.