2060044-26-8
Product Name:
Isothiazolo[5,4-b]pyridine-5-carboxylic acid, 3-bromo-4-methyl-6-(1-methylethyl)-, ethyl ester
Formula:
C13H15BrN2O2S
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COMPUTED DESCRIPTORS
| Molecular Weight | 343.24 g/mol |
|---|---|
| XLogP3 | 4.4 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 5 |
| Rotatable Bond Count | 4 |
| Exact Mass | 342.00376 g/mol |
| Monoisotopic Mass | 342.00376 g/mol |
| Topological Polar Surface Area | 80.3 Ų |
| Heavy Atom Count | 19 |
| Formal Charge | 0 |
| Complexity | 343 |
| 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 |