1211791-01-3
Product Name:
ethyl 1-{1-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]ethyl}-1H-1,2,3,4-tetrazole-5-carboxylate
Formula:
C12H11ClF3N5O2
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COMPUTED DESCRIPTORS
| Molecular Weight | 349.69 g/mol |
|---|---|
| XLogP3 | 2.6 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 9 |
| Rotatable Bond Count | 5 |
| Exact Mass | 349.0553368 g/mol |
| Monoisotopic Mass | 349.0553368 g/mol |
| Topological Polar Surface Area | 82.8 Ų |
| Heavy Atom Count | 23 |
| Formal Charge | 0 |
| Complexity | 428 |
| 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 |