81021-98-9
Product Name:
ETHYL 3-BROMOIMIDAZO[2,1-B][1,3]BENZOTHIAZOLE-2-CARBOXYLATE
Formula:
C12H9BrN2O2S
Inquiry
COMPUTED DESCRIPTORS
| Molecular Weight | 325.18 g/mol |
|---|---|
| XLogP3 | 4.9 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 3 |
| Exact Mass | 323.95681 g/mol |
| Monoisotopic Mass | 323.95681 g/mol |
| Topological Polar Surface Area | 71.8 Ų |
| Heavy Atom Count | 18 |
| Formal Charge | 0 |
| Complexity | 344 |
| 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 |