918305-33-6
Product Name:
2-Propenoic acid, 3-(6-bromo-3-pyridinyl)-, methyl ester
Formula:
C9H8BrNO2
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COMPUTED DESCRIPTORS
| Molecular Weight | 242.07 g/mol |
|---|---|
| XLogP3 | 2.2 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 3 |
| Exact Mass | 240.97384 g/mol |
| Monoisotopic Mass | 240.97384 g/mol |
| Topological Polar Surface Area | 39.2 Ų |
| Heavy Atom Count | 13 |
| Formal Charge | 0 |
| Complexity | 206 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 1 |
| Compound Is Canonicalized | Yes |