860786-32-9
Product Name:
ETHYL 2-[4-(3-FLUOROPHENYL)-3-METHYL-5-OXO-4,5-DIHYDRO-1H-1,2,4-TRIAZOL-1-YL]ACETATE
Formula:
C13H14FN3O3
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COMPUTED DESCRIPTORS
| Molecular Weight | 279.27 g/mol |
|---|---|
| XLogP3 | 1.5 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 5 |
| Rotatable Bond Count | 5 |
| Exact Mass | 279.10191948 g/mol |
| Monoisotopic Mass | 279.10191948 g/mol |
| Topological Polar Surface Area | 62.2 Ų |
| Heavy Atom Count | 20 |
| Formal Charge | 0 |
| Complexity | 427 |
| 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 |