952800-37-2
Product Name:
METHYL 3-BROMO-6-(TRIFLUOROMETHYL)-1H-PYRROLO[2,3-B]PYRIDINE-2-CARBOXYLATE
Formula:
C10H6BrF3N2O2
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COMPUTED DESCRIPTORS
| Molecular Weight | 323.07 g/mol |
|---|---|
| XLogP3 | 3.1 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 6 |
| Rotatable Bond Count | 2 |
| Exact Mass | 321.95647 g/mol |
| Monoisotopic Mass | 321.95647 g/mol |
| Topological Polar Surface Area | 55 Ų |
| Heavy Atom Count | 18 |
| Formal Charge | 0 |
| Complexity | 340 |
| 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 |