959572-95-3
Product Name:
ETHYL 3-(TERT-BUTYL)-1-(3-NITRO-2-PYRIDINYL)-1H-PYRAZOLE-5-CARBOXYLATE
Formula:
C15H18N4O4
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COMPUTED DESCRIPTORS
| Molecular Weight | 318.33 g/mol |
|---|---|
| XLogP3 | 3.2 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 6 |
| Rotatable Bond Count | 5 |
| Exact Mass | 318.13280507 g/mol |
| Monoisotopic Mass | 318.13280507 g/mol |
| Topological Polar Surface Area | 103 Ų |
| Heavy Atom Count | 23 |
| Formal Charge | 0 |
| Complexity | 446 |
| 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 |