89482-17-7
Product Name:
Triadimenol A
Formula:
C14H18ClN3O2
Synonyms:
(αS,βR)-rel-α-tert-Butyl-β-(4-chlorophenoxy)-1H-1,2,4-triazole-1-ethanol;(αR,βS)-rel-α-tert-Butyl-β-(4-chlorophenoxy)-1H-1,2,4-triazole-1-ethanol
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COMPUTED DESCRIPTORS
| Molecular Weight | 295.76 g/mol |
|---|---|
| XLogP3 | 3.1 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 5 |
| Exact Mass | 295.1087545 g/mol |
| Monoisotopic Mass | 295.1087545 g/mol |
| Topological Polar Surface Area | 60.2 Ų |
| Heavy Atom Count | 20 |
| Formal Charge | 0 |
| Complexity | 303 |
| 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 |