321574-25-8
Product Name:
1-BENZYL-1-METHYL-1,3A,4,11C-TETRAHYDRO-3H-BENZO[5,6]CHROMENO[4,3-C]ISOXAZOL-1-IUM BROMIDE
Formula:
C22H22BrNO2
Inquiry
COMPUTED DESCRIPTORS
| Molecular Weight | 412.3 g/mol |
|---|---|
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 2 |
| Exact Mass | 411.08339 g/mol |
| Monoisotopic Mass | 411.08339 g/mol |
| Topological Polar Surface Area | 18.5 Ų |
| Heavy Atom Count | 26 |
| Formal Charge | 0 |
| Complexity | 477 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 2 |
| Undefined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 2 |
| Compound Is Canonicalized | Yes |