851193-57-2
Product Name:
Ethyl 3-(4-(benzyloxy)phenyl)-5-bromo-4-cyano-1-methyl-1H-pyrrole-2-carboxylate
Formula:
C22H19BrN2O3
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COMPUTED DESCRIPTORS
| Molecular Weight | 439.3 g/mol |
|---|---|
| XLogP3 | 5.1 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 7 |
| Exact Mass | 438.05791 g/mol |
| Monoisotopic Mass | 438.05791 g/mol |
| Topological Polar Surface Area | 64.2 Ų |
| Heavy Atom Count | 28 |
| Formal Charge | 0 |
| Complexity | 563 |
| 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 |