908584-68-9
Product Name:
5-AMINO-4-CYANO-1-(4-CHLORO-PHENYL)-1H-PYRAZOLE-3-CARBOXYLIC ACID ETHYL ESTER
Formula:
C13H11ClN4O2
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COMPUTED DESCRIPTORS
| Molecular Weight | 290.70 g/mol |
|---|---|
| XLogP3 | 3 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 5 |
| Rotatable Bond Count | 4 |
| Exact Mass | 290.0570533 g/mol |
| Monoisotopic Mass | 290.0570533 g/mol |
| Topological Polar Surface Area | 93.9 Ų |
| Heavy Atom Count | 20 |
| Formal Charge | 0 |
| Complexity | 402 |
| 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 |