52188-12-2
Product Name:
(1,1,3-TRIOXO-1,3-DIHYDRO-1LAMBDA6-BENZO[D]ISOTHIAZOL-2-YL)-ACETONITRILE
Formula:
C9H6N2O3S
Inquiry
COMPUTED DESCRIPTORS
| Molecular Weight | 222.22 g/mol |
|---|---|
| XLogP3 | 0.4 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 1 |
| Exact Mass | 222.00991323 g/mol |
| Monoisotopic Mass | 222.00991323 g/mol |
| Topological Polar Surface Area | 86.6 Ų |
| Heavy Atom Count | 15 |
| Formal Charge | 0 |
| Complexity | 428 |
| 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 |