187725-00-4
Product Name:
1H-Pyrrolo[2,3-d]pyrimidine-6-carboxylic acid, 4-chloro-, ethyl ester
Formula:
C9H8ClN3O2
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COMPUTED DESCRIPTORS
| Molecular Weight | 225.63 g/mol |
|---|---|
| XLogP3 | 2.2 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 3 |
| Exact Mass | 225.0305042 g/mol |
| Monoisotopic Mass | 225.0305042 g/mol |
| Topological Polar Surface Area | 67.9 Ų |
| Heavy Atom Count | 15 |
| Formal Charge | 0 |
| Complexity | 252 |
| 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 |