333767-06-9
Product Name:
4-ALLYL-5-[(4-CHLOROPHENOXY)METHYL]-4H-1,2,4-TRIAZOLE-3-THIOL
Formula:
C12H12ClN3OS
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COMPUTED DESCRIPTORS
| Molecular Weight | 281.76 g/mol |
|---|---|
| XLogP3 | 2.9 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 5 |
| Exact Mass | 281.0389609 g/mol |
| Monoisotopic Mass | 281.0389609 g/mol |
| Topological Polar Surface Area | 69 Ų |
| Heavy Atom Count | 18 |
| Formal Charge | 0 |
| Complexity | 353 |
| 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 |