1228183-72-9
Product Name:
tert-Butyl 3-iodo-5-(trifluoromethyl)-1H-pyrrolo-[2,3-b]pyridine-1-carboxylate
Formula:
C13H12F3IN2O2
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COMPUTED DESCRIPTORS
| Molecular Weight | 412.15 g/mol |
|---|---|
| XLogP3 | 4.1 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 6 |
| Rotatable Bond Count | 2 |
| Exact Mass | 411.98956 g/mol |
| Monoisotopic Mass | 411.98956 g/mol |
| Topological Polar Surface Area | 44.1 Ų |
| Heavy Atom Count | 21 |
| Formal Charge | 0 |
| Complexity | 411 |
| 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 |