1806458-35-4
Product Name:
Benzeneacetic acid, 3-(3-bromopropyl)-α-hydroxy-4-(methylthio)-
Formula:
C12H15BrO3S
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COMPUTED DESCRIPTORS
| Molecular Weight | 319.22 g/mol |
|---|---|
| XLogP3 | 2.7 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 6 |
| Exact Mass | 317.99253 g/mol |
| Monoisotopic Mass | 317.99253 g/mol |
| Topological Polar Surface Area | 82.8 Ų |
| Heavy Atom Count | 17 |
| Formal Charge | 0 |
| Complexity | 250 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 1 |
| Compound Is Canonicalized | Yes |