92950-59-9
Product Name:
2-Propenoic acid, 3-(5-bromo-2-thienyl)-, 4-(octyloxy)phenyl ester
Formula:
C21H25BrO3S
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COMPUTED DESCRIPTORS
| Molecular Weight | 437.4 g/mol |
|---|---|
| XLogP3 | 7.9 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 12 |
| Exact Mass | 436.07078 g/mol |
| Monoisotopic Mass | 436.07078 g/mol |
| Topological Polar Surface Area | 63.8 Ų |
| Heavy Atom Count | 26 |
| Formal Charge | 0 |
| Complexity | 422 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 1 |
| Covalently-Bonded Unit Count | 1 |
| Compound Is Canonicalized | Yes |