67226-90-8
Product Name:
Thiosulfuric acid (H2S2O3), S-[2-[[4-(4-bromo-2-chloro-6-methylphenyl)butyl]amino]ethyl] ester
Formula:
C13H19BrClNO3S2
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COMPUTED DESCRIPTORS
| Molecular Weight | 416.8 g/mol |
|---|---|
| XLogP3 | 1.2 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 5 |
| Rotatable Bond Count | 9 |
| Exact Mass | 414.96783 g/mol |
| Monoisotopic Mass | 414.96783 g/mol |
| Topological Polar Surface Area | 100 Ų |
| Heavy Atom Count | 21 |
| Formal Charge | 0 |
| Complexity | 391 |
| 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 |